2-amino-N-(4-fluoro-2-methylphenyl)propanamide

• ChemBase ID: 308542
• Molecular Formular: C10H13FN2O
• Molecular Mass: 196.2214232
• Monoisotopic Mass: 196.10119127
• SMILES: C(=O)(Nc1c(cc(cc1)F)C)C(N)C
• Canonical SMILES: O=C(C(N)C)Nc1ccc(cc1C)F
• InChI: InChI=1S/C10H13FN2O/c1-6-5-8(11)3-4-9(6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
• InChIKey: VWIJYTLNVUJJLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-fluoro-2-methylphenyl)propanamide
• IUPAC Traditional name: 2-amino-N-(4-fluoro-2-methylphenyl)propanamide
• Synonyms: N~1~-(4-fluoro-2-methylphenyl)alaninamide

Database IDs

• CAS Number: 1104919-88-1
• MDL Number: MFCD09935301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0420365
• LogD (pH = 7.4): 0.62666583
• Log P: 1.5117139
• Molar Refractivity: 54.0322 cm^3
• Polarizability: 20.013992 Å^3
• Polar Surface Area: 55.12 Å^2