2-amino-N-(2,5-difluorophenyl)acetamide

• ChemBase ID: 308549
• Molecular Formular: C8H8F2N2O
• Molecular Mass: 186.1587264
• Monoisotopic Mass: 186.06046933
• SMILES: c1(NC(=O)CN)cc(ccc1F)F
• Canonical SMILES: NCC(=O)Nc1cc(F)ccc1F
• InChI: InChI=1S/C8H8F2N2O/c9-5-1-2-6(10)7(3-5)12-8(13)4-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: OEDRYZOTPDYMBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1016800-19-3
• MDL Number: MFCD09943820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8007169
• LogD (pH = 7.4): -0.10667343
• Log P: 0.5722302
• Molar Refractivity: 44.7135 cm^3
• Polarizability: 16.213858 Å^3
• Polar Surface Area: 55.12 Å^2