5-bromo-N-phenylfuran-2-carboxamide

• ChemBase ID: 310700
• Molecular Formular: C11H8BrNO2
• Molecular Mass: 266.09072
• Monoisotopic Mass: 264.9738405
• SMILES: c1(C(=O)Nc2ccccc2)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C11H8BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)
• InChIKey: WYJOTRPYPMADNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-phenylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-phenylfuran-2-carboxamide
• Synonyms: 5-bromo-N-phenyl-2-furamide

Database IDs

• CAS Number: 58217-60-0
• MDL Number: MFCD00454504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5944846
• LogD (pH = 7.4): 2.5944204
• Log P: 2.5944853
• Molar Refractivity: 61.3872 cm^3
• Polarizability: 22.732992 Å^3
• Polar Surface Area: 42.24 Å^2