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

• ChemBase ID: 308458
• Molecular Formular: C8H7F3N2O
• Molecular Mass: 204.1491896
• Monoisotopic Mass: 204.05104751
• SMILES: c1(c(c(ccc1NC(=O)CN)F)F)F
• Canonical SMILES: NCC(=O)Nc1ccc(c(c1F)F)F
• InChI: InChI=1S/C8H7F3N2O/c9-4-1-2-5(8(11)7(4)10)13-6(14)3-12/h1-2H,3,12H2,(H,13,14)
• InChIKey: QHHISXJXWLNFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 900640-59-7
• MDL Number: MFCD05266690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.658031
• LogD (pH = 7.4): 0.036088143
• Log P: 0.71493214
• Molar Refractivity: 44.9299 cm^3
• Polarizability: 16.068335 Å^3
• Polar Surface Area: 55.12 Å^2