N'-(4-chlorophenyl)propanediamide (CED0316302)

Record Information
Version1.0
Creation Date2026-09-01 17:31:49 UTC
Update Date2026-09-01 17:31:49 UTC
SynCED IDCED0316302
Secondary Accession Numbers
  • CHEM362277
Identification
Common NameN'-(4-chlorophenyl)propanediamide
ClassSmall Molecule
Description
N'-(4-chlorophenyl)propanediamide is a chemical compound with the formula C9H9ClN2O2. It has an average molecular weight of 212.63 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9ClN2O2
Average Molecular MassNot Available
Monoisotopic Mass212.035 g/mol
CAS Registry Number17722-18-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC=C1NC(=O)CC(=O)N)Cl
InChI IdentifierInChI=1S/C9H9ClN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChI KeyODEPPSLXVFSIRO-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
2000.0 Log mg/kg [1100:3600]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
Click to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 4Q9NR20HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.375
Statistical Significance
0.0212
Supporting Reference Compounds
393
E-value
165.352
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.372
Statistical Significance
0.0079
Supporting Reference Compounds
175
E-value
61.2673
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.356
Statistical Significance
0.0575
Supporting Reference Compounds
934
E-value
448.022
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.356
Statistical Significance
0.0713
Supporting Reference Compounds
1158
E-value
555.454
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.356
Statistical Significance
0.0439
Supporting Reference Compounds
715
E-value
342.069
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.533
Statistical Significance
2.40e-04
Supporting Reference Compounds
30
E-value
1.86838
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.459
Statistical Significance
0.0032
Supporting Reference Compounds
200
E-value
25.2231
Click to view 3D structurePhotosystem II protein D1P06402Marchantia polymorphaPredicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
0.485
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Click to view 3D structureMethionine--tRNA ligaseA0A3N3ZFK4Enterococcus faecalisPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.385
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Click to view 3D structureMethionine--tRNA ligaseP67578Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.385
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.405
Statistical Significance
0.0118
Supporting Reference Compounds
472
E-value
91.8621
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.378
Statistical Significance
0.0117
Supporting Reference Compounds
372
E-value
91.0057
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.533
Statistical Significance
0.0039
Supporting Reference Compounds
151
E-value
30.3612
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.405
Statistical Significance
0.0037
Supporting Reference Compounds
64
E-value
28.5707
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.378
Statistical Significance
0.0151
Supporting Reference Compounds
407
E-value
117.786
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.375
Statistical Significance
0.0127
Supporting Reference Compounds
332
E-value
98.5571
Solute carrier family 22 member 3 structureClick to view 3D structureSolute carrier family 22 member 3O75751HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.533
Statistical Significance
6.00e-05
Supporting Reference Compounds
17
E-value
0.467095
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.457
Statistical Significance
0.0054
Supporting Reference Compounds
93
E-value
42.4278
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.375
Statistical Significance
0.0389
Supporting Reference Compounds
742
E-value
302.522
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.356
Statistical Significance
0.0782
Supporting Reference Compounds
1660
E-value
608.781
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.356
Statistical Significance
0.0685
Supporting Reference Compounds
1301
E-value
533.656
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.375
Statistical Significance
0.0683
Supporting Reference Compounds
1157
E-value
531.71
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.375
Statistical Significance
0.0504
Supporting Reference Compounds
906
E-value
392.36
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.375
Statistical Significance
0.0444
Supporting Reference Compounds
727
E-value
345.806
Dual specificity tyrosine-phosphorylation-regulated kinase 3 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 3O43781HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.375
Statistical Significance
0.0214
Supporting Reference Compounds
412
E-value
166.519
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available