N-benzyl-5-bromofuran-2-carboxamide

• ChemBase ID: 310694
• Molecular Formular: C12H10BrNO2
• Molecular Mass: 280.1173
• Monoisotopic Mass: 278.98949057
• SMILES: c1(oc(cc1)Br)C(=O)NCc1ccccc1
• Canonical SMILES: Brc1ccc(o1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C12H10BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
• InChIKey: DUZGNGADSRKPPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-bromofuran-2-carboxamide
• IUPAC Traditional name: N-benzyl-5-bromofuran-2-carboxamide
• Synonyms: N-benzyl-5-bromo-2-furamide

Database IDs

• CAS Number: 117845-23-5
• MDL Number: MFCD00454467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.30139
• LogD (pH = 7.4): 2.3013842
• Log P: 2.3013902
• Molar Refractivity: 64.4414 cm^3
• Polarizability: 24.377426 Å^3
• Polar Surface Area: 42.24 Å^2