N-(4-aminophenyl)-5-methylfuran-3-carboxamide

• ChemBase ID: 311288
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1(C(=O)Nc2ccc(N)cc2)cc(oc1)C
• Canonical SMILES: Nc1ccc(cc1)NC(=O)c1coc(c1)C
• InChI: InChI=1S/C12H12N2O2/c1-8-6-9(7-16-8)12(15)14-11-4-2-10(13)3-5-11/h2-7H,13H2,1H3,(H,14,15)
• InChIKey: GUTHXYNNQOQQPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-5-methylfuran-3-carboxamide
• IUPAC Traditional name: N-(4-aminophenyl)-5-methylfuran-3-carboxamide
• Synonyms: N-(4-aminophenyl)-5-methyl-3-furamide

Database IDs

• CAS Number: 887358-45-4
• MDL Number: MFCD00448335

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5698159
• LogD (pH = 7.4): 1.5759319
• Log P: 1.5760115
• Molar Refractivity: 63.955 cm^3
• Polarizability: 22.715822 Å^3
• Polar Surface Area: 68.26 Å^2