2-bromo-N-(4-iodophenyl)acetamide

• ChemBase ID: 32232
• Molecular Formular: C8H7BrINO
• Molecular Mass: 339.95575
• Monoisotopic Mass: 338.87557385
• SMILES: C(=O)(Nc1ccc(I)cc1)CBr
• Canonical SMILES: BrCC(=O)Nc1ccc(cc1)I
• InChI: InChI=1S/C8H7BrINO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
• InChIKey: JGIFPRWFFQZALF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-iodophenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(4-iodophenyl)acetamide
• Synonyms: 2-Bromo-N-(4-iodophenyl)acetamide

Database IDs

• MDL Number: MFCD02974369
• PubChem SID: 160995539
• PubChem CID: 3415344

CALCULATED PROPERTIES

• Acid pKa: 13.62457
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8627398
• LogD (pH = 7.4): 2.8627396
• Log P: 2.8627398
• Molar Refractivity: 62.0202 cm^3
• Polarizability: 23.412868 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