2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide

C19H21ClN2O2 — CID 113172202

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-8-9-17(12-18(14)20)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyZKTUSCOOUYBVIQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.36
Rot. Bonds6

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 113172202) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
PubChem CID113172202
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-8-9-17(12-18(14)20)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyZKTUSCOOUYBVIQ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)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-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113172371
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide (CID 113172202) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide is CC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is ZKTUSCOOUYBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-8-9-17(12-18(14)20)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113172202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).