2-chloro-N-[1-(4-methylphenyl)ethyl]acetamide

• ChemBase ID: 312664
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: N(C(=O)CCl)C(c1ccc(cc1)C)C
• Canonical SMILES: ClCC(=O)NC(c1ccc(cc1)C)C
• InChI: InChI=1S/C11H14ClNO/c1-8-3-5-10(6-4-8)9(2)13-11(14)7-12/h3-6,9H,7H2,1-2H3,(H,13,14)
• InChIKey: MEROEWXZHHGWCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(4-methylphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[1-(4-methylphenyl)ethyl]acetamide
• Synonyms: 2-chloro-N-[1-(4-methylphenyl)ethyl]acetamide

Database IDs

• CAS Number: 91131-04-3
• MDL Number: MFCD08691995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.385201
• LogD (pH = 7.4): 2.3851962
• Log P: 2.385201
• Molar Refractivity: 58.1884 cm^3
• Polarizability: 22.483486 Å^3
• Polar Surface Area: 29.1 Å^2