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

• ChemBase ID: 310759
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: N(c1c(cc(cc1)C)C)C(=O)CCCl
• Canonical SMILES: ClCCC(=O)Nc1ccc(cc1C)C
• InChI: InChI=1S/C11H14ClNO/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
• InChIKey: QUELVOCFFFLHOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(2,4-dimethylphenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(2,4-dimethylphenyl)propanamide
• Synonyms: 3-chloro-N-(2,4-dimethylphenyl)propanamide

Database IDs

• CAS Number: 39494-04-7
• MDL Number: MFCD02973604

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0121555
• LogD (pH = 7.4): 3.0121555
• Log P: 3.0121555
• Molar Refractivity: 60.456 cm^3
• Polarizability: 22.39682 Å^3
• Polar Surface Area: 29.1 Å^2