2-[2-(furan-2-amido)benzamido]benzoic acid

• ChemBase ID: 193045
• Molecular Formular: C19H14N2O5
• Molecular Mass: 350.32486
• Monoisotopic Mass: 350.09027156
• SMILES: C(=O)(c1c(NC(=O)c2occc2)cccc1)Nc1c(C(=O)O)cccc1
• Canonical SMILES: O=C(c1ccco1)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O
• InChI: InChI=1S/C19H14N2O5/c22-17(20-15-9-4-2-7-13(15)19(24)25)12-6-1-3-8-14(12)21-18(23)16-10-5-11-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
• InChIKey: ZUXUSRQFAGYXIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(furan-2-amido)benzamido]benzoic acid
• IUPAC Traditional name: 2-[2-(furan-2-amido)benzamido]benzoic acid

Database IDs

• PubChem SID: 164248955
• PubChem CID: 829509

CALCULATED PROPERTIES

• Acid pKa: 3.5511467
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.582263
• LogD (pH = 7.4): 0.15502582
• Log P: 3.524845
• Molar Refractivity: 96.7721 cm^3
• Polarizability: 34.794464 Å^3
• Polar Surface Area: 108.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds