5-bromo-N-[2-(propan-2-yl)phenyl]furan-2-carboxamide

• ChemBase ID: 310945
• Molecular Formular: C14H14BrNO2
• Molecular Mass: 308.17046
• Monoisotopic Mass: 307.02079069
• SMILES: c1(C(=O)Nc2c(C(C)C)cccc2)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1ccccc1C(C)C
• InChI: InChI=1S/C14H14BrNO2/c1-9(2)10-5-3-4-6-11(10)16-14(17)12-7-8-13(15)18-12/h3-9H,1-2H3,(H,16,17)
• InChIKey: QDDAZUOOEGOEBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-[2-(propan-2-yl)phenyl]furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(2-isopropylphenyl)furan-2-carboxamide
• Synonyms: 5-bromo-N-(2-isopropylphenyl)-2-furamide

Database IDs

• CAS Number: 314055-67-9
• MDL Number: MFCD01247524

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8394938
• LogD (pH = 7.4): 3.8394303
• Log P: 3.8394945
• Molar Refractivity: 75.578 cm^3
• Polarizability: 28.113773 Å^3
• Polar Surface Area: 42.24 Å^2