2-chloro-N-(2-fluoro-5-methylphenyl)acetamide

• ChemBase ID: 312289
• Molecular Formular: C9H9ClFNO
• Molecular Mass: 201.6252632
• Monoisotopic Mass: 201.03566981
• SMILES: c1(NC(=O)CCl)c(ccc(c1)C)F
• Canonical SMILES: Cc1cc(NC(=O)CCl)c(cc1)F
• InChI: InChI=1S/C9H9ClFNO/c1-6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
• InChIKey: CIJOMYINGDFPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-fluoro-5-methylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-fluoro-5-methylphenyl)acetamide
• Synonyms: 2-chloro-N-(2-fluoro-5-methylphenyl)acetamide

Database IDs

• CAS Number: 630119-82-3
• MDL Number: MFCD04346879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.404423
• LogD (pH = 7.4): 2.4043932
• Log P: 2.4044232
• Molar Refractivity: 50.9318 cm^3
• Polarizability: 18.545513 Å^3
• Polar Surface Area: 29.1 Å^2