3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide

C19H21ClN2O2 — CID 113123650

IUPAC3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-8-9-16(12-17(13)20)21-19(24)10-11-22(15(3)23)18-7-5-4-6-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUKGPUMQKIKCOEL-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

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

3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113123650) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113123650
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-8-9-16(12-17(13)20)21-19(24)10-11-22(15(3)23)18-7-5-4-6-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUKGPUMQKIKCOEL-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)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-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171
methyl 3-[acetyl-[3-(3-chloro-4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131424
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide (CID 113123650) is 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is UKGPUMQKIKCOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-8-9-16(12-17(13)20)21-19(24)10-11-22(15(3)23)18-7-5-4-6-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide?
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113123650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).