5-bromo-N-(2-fluorophenyl)furan-2-carboxamide

• ChemBase ID: 311082
• Molecular Formular: C11H7BrFNO2
• Molecular Mass: 284.0811832
• Monoisotopic Mass: 282.96441869
• SMILES: c1(C(=O)Nc2c(F)cccc2)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C11H7BrFNO2/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h1-6H,(H,14,15)
• InChIKey: QYEVHULUBYKZBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(2-fluorophenyl)furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(2-fluorophenyl)furan-2-carboxamide
• Synonyms: 5-bromo-N-(2-fluorophenyl)-2-furamide

Database IDs

• CAS Number: 312704-38-4
• MDL Number: MFCD01327954

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7371542
• LogD (pH = 7.4): 2.7345679
• Log P: 2.7371874
• Molar Refractivity: 61.6036 cm^3
• Polarizability: 22.570349 Å^3
• Polar Surface Area: 42.24 Å^2