2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide

C17H17ClN2O2 — CID 9084577

IUPAC2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-6-7-16(15(18)8-11)20-17(22)10-19-14-5-3-4-13(9-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyUNFRDCNTGGPLGW-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.90
Rot. Bonds5

About 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide

2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 9084577) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID9084577
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-6-7-16(15(18)8-11)20-17(22)10-19-14-5-3-4-13(9-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyUNFRDCNTGGPLGW-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
CID 52704961
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide (CID 9084577) is 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide is CC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is UNFRDCNTGGPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-6-7-16(15(18)8-11)20-17(22)10-19-14-5-3-4-13(9-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide?
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 9084577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).