5-bromo-N-cyclohexylfuran-2-carboxamide

• ChemBase ID: 310697
• Molecular Formular: C11H14BrNO2
• Molecular Mass: 272.13836
• Monoisotopic Mass: 271.02079069
• SMILES: c1(C(=O)NC2CCCCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)NC1CCCCC1
• InChI: InChI=1S/C11H14BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
• InChIKey: PIYUOQBROIUTOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclohexylfuran-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-cyclohexylfuran-2-carboxamide
• Synonyms: 5-bromo-N-cyclohexyl-2-furamide

Database IDs

• CAS Number: 117845-24-6
• MDL Number: MFCD00454478

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3761876
• LogD (pH = 7.4): 2.3761873
• Log P: 2.3761876
• Molar Refractivity: 60.843 cm^3
• Polarizability: 23.32999 Å^3
• Polar Surface Area: 42.24 Å^2