2-bromo-N-(2-bromophenyl)acetamide

• ChemBase ID: 32250
• Molecular Formular: C8H7Br2NO
• Molecular Mass: 292.95528
• Monoisotopic Mass: 290.88943785
• SMILES: N(c1c(Br)cccc1)C(=O)CBr
• Canonical SMILES: BrCC(=O)Nc1ccccc1Br
• InChI: InChI=1S/C8H7Br2NO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
• InChIKey: JPEAJCARLBYXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(2-bromophenyl)acetamide
• IUPAC Traditional name: 2,6-dibromoacetanilide
• Synonyms: 2-Bromo-N-(2-bromophenyl)acetamide

Database IDs

• MDL Number: MFCD12026534
• PubChem SID: 160995557
• PubChem CID: 13143822

CALCULATED PROPERTIES

• Acid pKa: 12.557147
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7025478
• LogD (pH = 7.4): 2.702545
• Log P: 2.7025478
• Molar Refractivity: 56.2805 cm^3
• Polarizability: 21.033918 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false