2-chloro-N-(4-methylphenyl)butanamide

• ChemBase ID: 311371
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(=O)(Nc1ccc(cc1)C)C(Cl)CC
• Canonical SMILES: CCC(C(=O)Nc1ccc(cc1)C)Cl
• InChI: InChI=1S/C11H14ClNO/c1-3-10(12)11(14)13-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,13,14)
• InChIKey: SRKVFEGDMXEMQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methylphenyl)butanamide
• IUPAC Traditional name: 2-chloro-N-(4-methylphenyl)butanamide
• Synonyms: 2-chloro-N-(4-methylphenyl)butanamide

Database IDs

• CAS Number: 861597-51-5
• MDL Number: MFCD02285978

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.353008
• LogD (pH = 7.4): 3.3530078
• Log P: 3.353008
• Molar Refractivity: 59.7333 cm^3
• Polarizability: 22.475918 Å^3
• Polar Surface Area: 29.1 Å^2