7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one (CED0070656)

Record Information
Version1.0
Creation Date2026-08-20 02:02:56 UTC
Update Date2026-08-20 02:02:56 UTC
SynCED IDCED0070656
Secondary Accession Numbers
  • CHEM197866
Identification
Common Name7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one
ClassSmall Molecule
Description
7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one is an organic compound with the chemical formula C19H16ClFN2O and an average molecular weight of 342.80 g/mol. 7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. This substance is further categorized under the superclass of organoheterocyclic compounds. The compound has been identified in or released from 13 recorded sources across diverse sectors. Within the category of electrical and electronic equipment, it is associated with amplifiers, conductors or conductive bodies characterised by the conductive materials, discharge lamps, electric switches, and hybrid capacitors, among four other sources. In the realm of food, food processing and cookware, the compound is linked to fermentation processes for beer, food preservation, and the preparation of wine or sparkling wine. Additionally, it is found in building and construction contexts, specifically regarding tents or canopies.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC19H16ClFN2O
Average Molecular Mass342.800 g/mol
Monoisotopic Mass342.094 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
InChI KeyOFVXPDXXVSGEPX-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1583.0 Log mg/kg [890:2800]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000724Pencil Sharpener?A pencil sharpener, commonly used in various settings for maintaining the sharpness of pencils, can be a source of synthetic chemical contamination primarily through the materials from which it is constructed.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.466
Statistical Significance
1.60e-04
Supporting Reference Compounds
43
E-value
1.24559
Click to view 3D structureTranslocator proteinP16257Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.533
Statistical Significance
5.00e-04
Supporting Reference Compounds
34
E-value
3.89246
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.533
Statistical Significance
0.1167
Supporting Reference Compounds
1538
E-value
908.578
Aurora kinase A structureClick to view 3D structureAurora kinase AP97477Mus musculusPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.415
Statistical Significance
1.20e-04
Supporting Reference Compounds
4
E-value
0.934191
Gamma-aminobutyric acid receptor subunit alpha-5 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-5P31644HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.466
Statistical Significance
4.30e-04
Supporting Reference Compounds
14
E-value
3.34752
Gamma-aminobutyric acid receptor subunit alpha-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-2P47869HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.466
Statistical Significance
9.00e-05
Supporting Reference Compounds
14
E-value
0.700643
Gamma-aminobutyric acid receptor subunit alpha-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-3P34903HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.466
Statistical Significance
9.00e-05
Supporting Reference Compounds
13
E-value
0.700643
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.415
Statistical Significance
0.1251
Supporting Reference Compounds
996
E-value
973.972
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.415
Statistical Significance
0.1281
Supporting Reference Compounds
1017
E-value
997.326
Click to view 3D structureTranslocator proteinP30535Bos taurusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.466
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Click to view 3D structureAurora kinase BO70126Mus musculusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.284 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.48557
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.329
Statistical Significance
0.1092
Supporting Reference Compounds
532
E-value
850.347
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.466
Statistical Significance
0.0499
Supporting Reference Compounds
201
E-value
388.39
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.329
Statistical Significance
0.0944
Supporting Reference Compounds
427
E-value
735.208
Serine/threonine-protein kinase PAK 1 structureClick to view 3D structureSerine/threonine-protein kinase PAK 1Q13153HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.296 Low confidence
Statistical Significance
0.1601
Supporting Reference Compounds
595
E-value
1246.21
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.338
Statistical Significance
0.0559
Supporting Reference Compounds
266
E-value
435.177
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.338
Statistical Significance
0.0855
Supporting Reference Compounds
385
E-value
665.689
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.329
Statistical Significance
0.0594
Supporting Reference Compounds
199
E-value
462.347
TGF-beta receptor type-1 structureClick to view 3D structureTGF-beta receptor type-1P36897HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0772
Supporting Reference Compounds
218
E-value
601.074
DDB1- and CUL4-associated factor 1 structureClick to view 3D structureDDB1- and CUL4-associated factor 1Q9Y4B6HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.504
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.338
Statistical Significance
0.0237
Supporting Reference Compounds
109
E-value
184.658
Serine/threonine-protein kinase N1 structureClick to view 3D structureSerine/threonine-protein kinase N1Q16512HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0624
Supporting Reference Compounds
150
E-value
485.779
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.284 Low confidence
Statistical Significance
0.2429
Supporting Reference Compounds
728
E-value
1891.04
Rhodesain structureClick to view 3D structureRhodesainQ95PM0Trypanosoma brucei rhodesiensePredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.362
Statistical Significance
0.0145
Supporting Reference Compounds
30
E-value
113.115
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.284 Low confidence
Statistical Significance
0.3337
Supporting Reference Compounds
1157
E-value
2597.67
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available