2-amino-N-(4-bromo-2-fluorophenyl)acetamide

• ChemBase ID: 308351
• Molecular Formular: C8H8BrFN2O
• Molecular Mass: 247.0643232
• Monoisotopic Mass: 245.98040311
• SMILES: N(c1c(cc(cc1)Br)F)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1F)Br
• InChI: InChI=1S/C8H8BrFN2O/c9-5-1-2-7(6(10)3-5)12-8(13)4-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: WVYGKIWIPJOTKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1017022-11-5
• MDL Number: MFCD09940170

CALCULATED PROPERTIES

• Molar Refractivity: 52.1199 cm^3
• Polarizability: 19.406424 Å^3
• Polar Surface Area: 55.12 Å^2
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.174691
• LogD (pH = 7.4): 0.5194683
• Log P: 1.1982809