5-chloro-2,3-dihydroindole-1-carboxamide (CED0316301)

Record Information
Version1.0
Creation Date2026-09-01 17:31:44 UTC
Update Date2026-09-01 17:31:44 UTC
SynCED IDCED0316301
Secondary Accession Numbers
  • CHEM362276
Identification
Common Name5-chloro-2,3-dihydroindole-1-carboxamide
ClassSmall Molecule
Description
5-chloro-2,3-dihydroindole-1-carboxamide is a chemical compound with the formula C9H9ClN2O. It has an average molecular weight of 196.63 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9ClN2O
Average Molecular MassNot Available
Monoisotopic Mass196.040 g/mol
CAS Registry Number55613-58-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CN(C2=C1C=C(C=C2)Cl)C(=O)N
InChI IdentifierInChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChI KeyBOMYLDVQOSGKAD-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
266.0 Log mg/kg [150:470]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
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.327
Statistical Significance
0.0433
Supporting Reference Compounds
507
E-value
337.087
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.349
Statistical Significance
0.1481
Supporting Reference Compounds
1538
E-value
1153.26
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.333
Statistical Significance
0.0034
Supporting Reference Compounds
39
E-value
26.313
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.333
Statistical Significance
0.1261
Supporting Reference Compounds
1245
E-value
981.523
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.333
Statistical Significance
0.0137
Supporting Reference Compounds
175
E-value
106.965
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.333
Statistical Significance
0.0718
Supporting Reference Compounds
793
E-value
558.724
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.327
Statistical Significance
0.116
Supporting Reference Compounds
1130
E-value
903.051
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.333
Statistical Significance
0.0197
Supporting Reference Compounds
200
E-value
153.285
Eukaryotic translation initiation factor 2-alpha kinase 3 structureClick to view 3D structureEukaryotic translation initiation factor 2-alpha kinase 3Q9NZJ5HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.353
Statistical Significance
0.0019
Supporting Reference Compounds
38
E-value
15.1806
Interferon-induced, double-stranded RNA-activated protein kinase structureClick to view 3D structureInterferon-induced, double-stranded RNA-activated protein kinaseP19525HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.353
Statistical Significance
0.0174
Supporting Reference Compounds
114
E-value
135.458
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.327
Statistical Significance
0.0619
Supporting Reference Compounds
686
E-value
481.731
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.311
Statistical Significance
0.195
Supporting Reference Compounds
1498
E-value
1517.98
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.327
Statistical Significance
0.1045
Supporting Reference Compounds
1103
E-value
813.524
Click to view 3D structureHistamine H1 receptorP31390Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.321
Statistical Significance
0.0082
Supporting Reference Compounds
63
E-value
64.1478
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.327
Statistical Significance
0.0844
Supporting Reference Compounds
861
E-value
657.359
Click to view 3D structure5-hydroxytryptamine receptor 2AP35363Mus musculusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.411
Statistical Significance
0.0038
Supporting Reference Compounds
47
E-value
29.7384
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
0.0034
Supporting Reference Compounds
42
E-value
26.313
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.411
Statistical Significance
0.0209
Supporting Reference Compounds
258
E-value
163.094
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.327
Statistical Significance
0.0967
Supporting Reference Compounds
953
E-value
753.191
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.327
Statistical Significance
0.1043
Supporting Reference Compounds
825
E-value
812.201
Click to view 3D structure5-hydroxytryptamine receptor 1BP28334Mus musculusPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.323
Statistical Significance
8.70e-04
Supporting Reference Compounds
2
E-value
6.77288
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.327
Statistical Significance
0.0346
Supporting Reference Compounds
185
E-value
269.592
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.295 Low confidence
Statistical Significance
0.1024
Supporting Reference Compounds
823
E-value
797.41
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.327
Statistical Significance
0.0722
Supporting Reference Compounds
565
E-value
562.305
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.295 Low confidence
Statistical Significance
0.1237
Supporting Reference Compounds
955
E-value
962.761
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available