3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide

C17H18Cl2N2O — CID 109038378

IUPAC3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-4-6-14(10-15(11)19)20-8-7-17(22)21-16-9-13(18)5-3-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyRGJZDFBLNCXKHH-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds5

About 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide

3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 109038378) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID109038378
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-4-6-14(10-15(11)19)20-8-7-17(22)21-16-9-13(18)5-3-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyRGJZDFBLNCXKHH-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide 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-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide (CID 109038378) is 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(NCCC(=O)Nc2cc(Cl)ccc2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is RGJZDFBLNCXKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-4-6-14(10-15(11)19)20-8-7-17(22)21-16-9-13(18)5-3-12(16)2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 337.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).