2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide

C17H17ClN2O2 — CID 113167570

IUPAC2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(9-12)20(13(2)21)11-17(22)19-15-7-4-6-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyQAEHCHRGKDSZDW-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.64
Rot. Bonds4

About 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide

2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide (PubChem CID 113167570) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
PubChem CID113167570
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(9-12)20(13(2)21)11-17(22)19-15-7-4-6-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyQAEHCHRGKDSZDW-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide 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

2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide (CID 113167570) is 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide?
The InChIKey is QAEHCHRGKDSZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-3-8-16(9-12)20(13(2)21)11-17(22)19-15-7-4-6-14(18)10-15/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide?
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 113167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).