5-bromo-N-(naphthalen-1-yl)furan-2-carboxamide

• ChemBase ID: 310698
• Molecular Formular: C15H10BrNO2
• Molecular Mass: 316.1494
• Monoisotopic Mass: 314.98949057
• SMILES: c1(C(=O)Nc2c3c(ccc2)cccc3)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C15H10BrNO2/c16-14-9-8-13(19-14)15(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,17,18)
• InChIKey: VGONJXTWHVKZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(naphthalen-1-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(naphthalen-1-yl)furan-2-carboxamide
• Synonyms: 5-bromo-N-1-naphthyl-2-furamide

Database IDs

• CAS Number: 40337-11-9
• MDL Number: MFCD00430977

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5839603
• LogD (pH = 7.4): 3.5838149
• Log P: 3.5839622
• Molar Refractivity: 77.8374 cm^3
• Polarizability: 30.080244 Å^3
• Polar Surface Area: 42.24 Å^2