3-[2-(furan-2-amido)benzamido]benzoic acid

• ChemBase ID: 191707
• Molecular Formular: C19H14N2O5
• Molecular Mass: 350.32486
• Monoisotopic Mass: 350.09027156
• SMILES: C(=O)(c1c(NC(=O)c2occc2)cccc1)Nc1cc(C(=O)O)ccc1
• Canonical SMILES: O=C(c1ccccc1NC(=O)c1ccco1)Nc1cccc(c1)C(=O)O
• InChI: InChI=1S/C19H14N2O5/c22-17(20-13-6-3-5-12(11-13)19(24)25)14-7-1-2-8-15(14)21-18(23)16-9-4-10-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
• InChIKey: DRGBJEBIIJHOSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(furan-2-amido)benzamido]benzoic acid
• IUPAC Traditional name: 3-[2-(furan-2-amido)benzamido]benzoic acid

Database IDs

• PubChem SID: 164247617
• PubChem CID: 905918

CALCULATED PROPERTIES

• Acid pKa: 3.918511
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2868586
• LogD (pH = 7.4): -0.3394167
• Log P: 2.874845
• Molar Refractivity: 96.7721 cm^3
• Polarizability: 34.792698 Å^3
• Polar Surface Area: 108.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds