N-ethyl-3-[2-(furan-2-yl)-2-oxoacetamido]-N-phenylbenzamide

• ChemBase ID: 383455
• Molecular Formular: C21H18N2O4
• Molecular Mass: 362.37862
• Monoisotopic Mass: 362.12665707
• SMILES: C(=O)(C(=O)Nc1cc(C(=O)N(c2ccccc2)CC)ccc1)c1occc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)NC(=O)C(=O)c1ccco1)c1ccccc1
• InChI: InChI=1S/C21H18N2O4/c1-2-23(17-10-4-3-5-11-17)21(26)15-8-6-9-16(14-15)22-20(25)19(24)18-12-7-13-27-18/h3-14H,2H2,1H3,(H,22,25)
• InChIKey: NKXJGULHNMSRTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-[2-(furan-2-yl)-2-oxoacetamido]-N-phenylbenzamide
• IUPAC Traditional name: N-ethyl-3-[2-(furan-2-yl)-2-oxoacetamido]-N-phenylbenzamide
• Synonyms: N-ethyl-3-{[2-furyl(oxo)acetyl]amino}-N-phenylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.198056
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.297794
• LogD (pH = 7.4): 3.2977293
• Log P: 3.2977948
• Molar Refractivity: 102.3219 cm^3
• Polarizability: 38.019035 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.79
• LOG S: -4.22
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 6