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

• ChemBase ID: 307807
• Molecular Formular: C8H7BrFNO
• Molecular Mass: 232.0496832
• Monoisotopic Mass: 230.96950407
• SMILES: N(c1c(F)cccc1)C(=O)CBr
• Canonical SMILES: BrCC(=O)Nc1ccccc1F
• InChI: InChI=1S/C8H7BrFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
• InChIKey: JMRLQUWUFLVROJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(2-fluorophenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(2-fluorophenyl)acetamide
• Synonyms: 2-bromo-N-(2-fluorophenyl)acetamide

Database IDs

• CAS Number: 73383-95-6
• MDL Number: MFCD02974351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0764968
• LogD (pH = 7.4): 2.0764744
• Log P: 2.076497
• Molar Refractivity: 48.8741 cm^3
• Polarizability: 17.807224 Å^3
• Polar Surface Area: 29.1 Å^2