5-bromo-N-(propan-2-yl)furan-2-carboxamide

• ChemBase ID: 311162
• Molecular Formular: C8H10BrNO2
• Molecular Mass: 232.0745
• Monoisotopic Mass: 230.98949057
• SMILES: c1(C(=O)NC(C)C)oc(cc1)Br
• Canonical SMILES: CC(NC(=O)c1ccc(o1)Br)C
• InChI: InChI=1S/C8H10BrNO2/c1-5(2)10-8(11)6-3-4-7(9)12-6/h3-5H,1-2H3,(H,10,11)
• InChIKey: JYCQSQCZAHQASJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(propan-2-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-isopropylfuran-2-carboxamide
• Synonyms: 5-bromo-N-isopropyl-2-furamide

Database IDs

• CAS Number: 300381-08-2
• MDL Number: MFCD00460312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3503
• LogD (pH = 7.4): 1.3502997
• Log P: 1.3503
• Molar Refractivity: 48.9962 cm^3
• Polarizability: 18.612022 Å^3
• Polar Surface Area: 42.24 Å^2