2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide

C16H17ClN2O — CID 103768034

IUPAC2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-9-12(2)5-8-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYDNPJAAZHXLKNM-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide

2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 103768034) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
PubChem CID103768034
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-9-12(2)5-8-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYDNPJAAZHXLKNM-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide (CID 103768034) is 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is YDNPJAAZHXLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-9-12(2)5-8-14(15)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide?
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 288.78 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 103768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).