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

• ChemBase ID: 308494
• Molecular Formular: C9H11FN2O
• Molecular Mass: 182.1948432
• Monoisotopic Mass: 182.0855412
• SMILES: N(c1c(cc(cc1)C)F)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1F)C
• InChI: InChI=1S/C9H11FN2O/c1-6-2-3-8(7(10)4-6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
• InChIKey: QWBRCHHQVZQHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1040021-64-4
• MDL Number: MFCD11053984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4300364
• LogD (pH = 7.4): 0.26418945
• Log P: 0.94294965
• Molar Refractivity: 49.5383 cm^3
• Polarizability: 18.182158 Å^3
• Polar Surface Area: 55.12 Å^2