3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide

C20H23ClN2O2 — CID 113127884

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-13-5-7-18(14(2)11-13)22-20(25)9-10-23(16(4)24)19-8-6-17(21)12-15(19)3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyLARYIYKSKWCEOX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.65
Rot. Bonds5

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113127884) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID113127884
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-13-5-7-18(14(2)11-13)22-20(25)9-10-23(16(4)24)19-8-6-17(21)12-15(19)3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyLARYIYKSKWCEOX-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide 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

3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide (CID 113127884) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is LARYIYKSKWCEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13-5-7-18(14(2)11-13)22-20(25)9-10-23(16(4)24)19-8-6-17(21)12-15(19)3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113127884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).