N-(4-aminophenyl)-5-methylfuran-2-carboxamide

• ChemBase ID: 311291
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1(C(=O)Nc2ccc(N)cc2)oc(cc1)C
• Canonical SMILES: Nc1ccc(cc1)NC(=O)c1ccc(o1)C
• InChI: InChI=1S/C12H12N2O2/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,13H2,1H3,(H,14,15)
• InChIKey: ZNLDWGQJCVKSBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-5-methylfuran-2-carboxamide
• IUPAC Traditional name: N-(4-aminophenyl)-5-methylfuran-2-carboxamide
• Synonyms: N-(4-aminophenyl)-5-methyl-2-furamide

Database IDs

• CAS Number: 727387-19-1
• MDL Number: MFCD00448324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4902612
• LogD (pH = 7.4): 1.495937
• Log P: 1.4960127
• Molar Refractivity: 63.8325 cm^3
• Polarizability: 22.718412 Å^3
• Polar Surface Area: 68.26 Å^2