N-(2,4-difluorophenyl)-3-oxobutanamide

• ChemBase ID: 311434
• Molecular Formular: C10H9F2NO2
• Molecular Mass: 213.1807664
• Monoisotopic Mass: 213.06013497
• SMILES: C(=O)(Nc1c(cc(cc1)F)F)CC(=O)C
• Canonical SMILES: O=C(Nc1ccc(cc1F)F)CC(=O)C
• InChI: InChI=1S/C10H9F2NO2/c1-6(14)4-10(15)13-9-3-2-7(11)5-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)
• InChIKey: CNAPKPKZXWZLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-difluorophenyl)-3-oxobutanamide
• IUPAC Traditional name: N-(2,4-difluorophenyl)-3-oxobutanamide
• Synonyms: N-(2,4-difluorophenyl)-3-oxobutanamide

Database IDs

• CAS Number: 218930-20-2
• MDL Number: MFCD00828654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7182069
• LogD (pH = 7.4): 1.7176467
• Log P: 1.718214
• Molar Refractivity: 51.249 cm^3
• Polarizability: 18.479649 Å^3
• Polar Surface Area: 46.17 Å^2