N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide

C17H19ClN2O — CID 9079630

IUPACN-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-5-7-15(14(18)8-11)20-17(21)10-19-16-9-12(2)4-6-13(16)3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyJRURXCCYRKXNOQ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.32
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide

N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide (PubChem CID 9079630) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
PubChem CID9079630
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-5-7-15(14(18)8-11)20-17(21)10-19-16-9-12(2)4-6-13(16)3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyJRURXCCYRKXNOQ-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
CID 55898253
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dimethylanilino)acetamide
CID 30534293
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-(2,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26415868
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide (CID 9079630) is N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide is Cc1ccc(NC(=O)CNc2cc(C)ccc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide?
The InChIKey is JRURXCCYRKXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-5-7-15(14(18)8-11)20-17(21)10-19-16-9-12(2)4-6-13(16)3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide is sourced from PubChem (CID 9079630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).