5-bromo-N-cyclooctylfuran-2-carboxamide

• ChemBase ID: 310704
• Molecular Formular: C13H18BrNO2
• Molecular Mass: 300.19152
• Monoisotopic Mass: 299.05209082
• SMILES: c1(C(=O)NC2CCCCCCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)NC1CCCCCCC1
• InChI: InChI=1S/C13H18BrNO2/c14-12-9-8-11(17-12)13(16)15-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,15,16)
• InChIKey: QHJMYECJBHGFHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclooctylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-cyclooctylfuran-2-carboxamide
• Synonyms: 5-bromo-N-cyclooctyl-2-furamide

Database IDs

• CAS Number: 310453-09-9
• MDL Number: MFCD00441287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2653248
• LogD (pH = 7.4): 3.2653246
• Log P: 3.2653248
• Molar Refractivity: 70.045 cm^3
• Polarizability: 26.95515 Å^3
• Polar Surface Area: 42.24 Å^2