N-(4-chloro-3-nitrophenyl)propanamide (CED0316304)

Record Information
Version1.0
Creation Date2026-09-01 17:32:00 UTC
Update Date2026-09-01 17:32:00 UTC
SynCED IDCED0316304
Secondary Accession Numbers
  • CHEM362279
Identification
Common NameN-(4-chloro-3-nitrophenyl)propanamide
ClassSmall Molecule
Description
N-(4-chloro-3-nitrophenyl)propanamide is a chemical compound with the formula C9H9ClN2O3. It has an average molecular weight of 228.63 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9ClN2O3
Average Molecular MassNot Available
Monoisotopic Mass228.030 g/mol
CAS Registry Number5540-61-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI IdentifierInChI=1S/C9H9ClN2O3/c1-2-9(13)11-6-3-4-7(10)8(5-6)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChI KeyYCRDVUMBHFXJPH-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
2183.0 Log mg/kg [1200:3900]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
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.538
Statistical Significance
2.50e-04
Supporting Reference Compounds
117
E-value
1.94623
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseQ81RP3Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.37
Statistical Significance
3.50e-04
Supporting Reference Compounds
1
E-value
2.72472
Mediator of RNA polymerase II transcription subunit 15 structureClick to view 3D structureMediator of RNA polymerase II transcription subunit 15Q6FRS9Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 /NRRL Y-65) (Yeast) (Torulopsis glabrata)Predicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Click to view 3D structurePhotosystem II protein D1P06402Marchantia polymorphaPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.386
Statistical Significance
2.10e-04
Supporting Reference Compounds
2
E-value
1.63483
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.392
Statistical Significance
0.0018
Supporting Reference Compounds
125
E-value
13.7793
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.357
Statistical Significance
0.0106
Supporting Reference Compounds
343
E-value
82.3645
Click to view 3D structureSodium-dependent organic anion transporterQ3KNW5HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.393
Statistical Significance
4.50e-04
Supporting Reference Compounds
3
E-value
3.50322
Macrophage scavenger receptor types I and II structureClick to view 3D structureMacrophage scavenger receptor types I and IIP30204Mus musculusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.321
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.372
Statistical Significance
0.0293
Supporting Reference Compounds
472
E-value
228.332
O-phosphoserine sulfhydrylase structureClick to view 3D structureO-phosphoserine sulfhydrylaseP9WP53Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
0.002
Supporting Reference Compounds
1
E-value
15.3363
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.392
Statistical Significance
0.0064
Supporting Reference Compounds
146
E-value
49.6678
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.377
Statistical Significance
0.0056
Supporting Reference Compounds
296
E-value
43.5177
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.372
Statistical Significance
0.0258
Supporting Reference Compounds
372
E-value
200.617
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.393
Statistical Significance
0.0156
Supporting Reference Compounds
425
E-value
121.133
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.361
Statistical Significance
0.0047
Supporting Reference Compounds
128
E-value
36.9005
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.346
Statistical Significance
0.0063
Supporting Reference Compounds
205
E-value
49.4343
Cystathionine beta-lyase MetC structureClick to view 3D structureCystathionine beta-lyase MetCP06721Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.308
Statistical Significance
3.40e-04
Supporting Reference Compounds
1
E-value
2.64687
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.397
Statistical Significance
0.0091
Supporting Reference Compounds
118
E-value
70.6092
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.4
Statistical Significance
0.0145
Supporting Reference Compounds
93
E-value
112.804
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.324
Statistical Significance
0.0041
Supporting Reference Compounds
117
E-value
31.7625
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.377
Statistical Significance
0.0034
Supporting Reference Compounds
115
E-value
26.7801
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.377
Statistical Significance
0.0087
Supporting Reference Compounds
226
E-value
67.5731
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.377
Statistical Significance
0.0087
Supporting Reference Compounds
227
E-value
67.5731
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.358
Statistical Significance
0.0807
Supporting Reference Compounds
793
E-value
627.932
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.358
Statistical Significance
0.1495
Supporting Reference Compounds
1245
E-value
1164.24
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available