2-amino-N-(3,4-difluorophenyl)acetamide

• ChemBase ID: 308496
• Molecular Formular: C8H8F2N2O
• Molecular Mass: 186.1587264
• Monoisotopic Mass: 186.06046933
• SMILES: c1(cc(NC(=O)CN)ccc1F)F
• Canonical SMILES: NCC(=O)Nc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H8F2N2O/c9-6-2-1-5(3-7(6)10)12-8(13)4-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: VKEOZYCTTXSZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3,4-difluorophenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(3,4-difluorophenyl)acetamide
• Synonyms: N~1~-(3,4-difluorophenyl)glycinamide

Database IDs

• CAS Number: 731795-74-7
• MDL Number: MFCD04631688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8008265
• LogD (pH = 7.4): -0.10642557
• Log P: 0.5722302
• Molar Refractivity: 44.7135 cm^3
• Polarizability: 16.210619 Å^3
• Polar Surface Area: 55.12 Å^2