3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide

C17H19ClN2O — CID 109035266

IUPAC3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-12-3-4-13(2)16(11-12)20-17(21)9-10-19-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyBZWFMPUPTTZPNO-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide

3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 109035266) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID109035266
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-12-3-4-13(2)16(11-12)20-17(21)9-10-19-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyBZWFMPUPTTZPNO-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035406
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide (CID 109035266) is 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCNc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is BZWFMPUPTTZPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-3-4-13(2)16(11-12)20-17(21)9-10-19-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 109035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).