2-chloro-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide

• ChemBase ID: 311480
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: c1(c(C(C)C)cccc1C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(C)cccc1C(C)C
• InChI: InChI=1S/C12H16ClNO/c1-8(2)10-6-4-5-9(3)12(10)14-11(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
• InChIKey: MELPBOXLVQNGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-(2-isopropyl-6-methylphenyl)acetamide
• Synonyms: 2-chloro-N-(2-isopropyl-6-methylphenyl)acetamide

Database IDs

• CAS Number: 20781-87-7
• MDL Number: MFCD02349107

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5067306
• LogD (pH = 7.4): 3.5067303
• Log P: 3.5067306
• Molar Refractivity: 64.9062 cm^3
• Polarizability: 24.237474 Å^3
• Polar Surface Area: 29.1 Å^2