N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide

C16H14Cl2N2O2 — CID 108954940

IUPACN'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-13(18)6-3-7-14(10)20-16(22)9-15(21)19-12-5-2-4-11(17)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPSXWMFUVTZSSBC-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.27
Rot. Bonds4

About N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide

N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide (PubChem CID 108954940) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
PubChem CID108954940
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-13(18)6-3-7-14(10)20-16(22)9-15(21)19-12-5-2-4-11(17)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPSXWMFUVTZSSBC-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
1-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 976499
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-isocyanoacetamide
CID 108814646
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide (CID 108954940) is N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide is Cc1c(Cl)cccc1NC(=O)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide?
The InChIKey is PSXWMFUVTZSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10-13(18)6-3-7-14(10)20-16(22)9-15(21)19-12-5-2-4-11(17)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide?
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide has a molecular weight of 337.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide is sourced from PubChem (CID 108954940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).