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

• ChemBase ID: 308511
• Molecular Formular: C9H11FN2O
• Molecular Mass: 182.1948432
• Monoisotopic Mass: 182.0855412
• SMILES: c1(NC(=O)CN)cc(ccc1C)F
• Canonical SMILES: Cc1ccc(cc1NC(=O)CN)F
• InChI: InChI=1S/C9H11FN2O/c1-6-2-3-7(10)4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
• InChIKey: BGDTTYPNQBSNCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(5-fluoro-2-methylphenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(5-fluoro-2-methylphenyl)acetamide
• Synonyms: N~1~-(5-fluoro-2-methylphenyl)glycinamide

Database IDs

• CAS Number: 1016876-45-1
• MDL Number: MFCD09939120

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4301031
• LogD (pH = 7.4): 0.26429445
• Log P: 0.94294965
• Molar Refractivity: 49.5383 cm^3
• Polarizability: 18.18215 Å^3
• Polar Surface Area: 55.12 Å^2