5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide

• ChemBase ID: 311454
• Molecular Formular: C12H9BrClNO2
• Molecular Mass: 314.56236
• Monoisotopic Mass: 312.95051821
• SMILES: c1(C(=O)Nc2c(c(Cl)ccc2)C)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1cccc(c1C)Cl
• InChI: InChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16)
• InChIKey: SEORHHLOOYKIQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
• Synonyms: 5-bromo-N-(3-chloro-2-methylphenyl)-2-furamide

Database IDs

• CAS Number: 356562-12-4
• MDL Number: MFCD01354477

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.711949
• LogD (pH = 7.4): 3.711764
• Log P: 3.7119515
• Molar Refractivity: 71.2332 cm^3
• Polarizability: 26.440668 Å^3
• Polar Surface Area: 42.24 Å^2