2-hydroxy-N-phenyl-9H-carbazole-3-carboxamide

• ChemBase ID: 798717
• Molecular Formular: C19H14N2O2
• Molecular Mass: 302.32666
• Monoisotopic Mass: 302.1055277
• SMILES: O=C(Nc1ccccc1)c1c(cc2[nH]c3c(cccc3)c2c1)O
• Canonical SMILES: O=C(c1cc2c(cc1O)[nH]c1c2cccc1)Nc1ccccc1
• InChI: InChI=1S/C19H14N2O2/c22-18-11-17-14(13-8-4-5-9-16(13)21-17)10-15(18)19(23)20-12-6-2-1-3-7-12/h1-11,21-22H,(H,20,23)
• InChIKey: XDCTVFJNJVPBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-phenyl-9H-carbazole-3-carboxamide
• IUPAC Traditional name: 2-hydroxy-N-phenyl-9H-carbazole-3-carboxamide
• Synonyms: 2-hydroxycarbazole-3-carboxanilide

Database IDs

• CAS Number: 94212-15-4

CALCULATED PROPERTIES

• Acid pKa: 7.637901
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.87608
• LogD (pH = 7.4): 3.6829975
• Log P: 3.8792052
• Molar Refractivity: 90.9866 cm^3
• Polarizability: 36.33688 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%