3-(3-fluorophenyl)-N-(2-oxooxolan-3-yl)benzamide

• ChemBase ID: 585401
• Molecular Formular: C17H14FNO3
• Molecular Mass: 299.2963632
• Monoisotopic Mass: 299.09577153
• SMILES: C(=O)(NC1C(=O)OCC1)c1cc(c2cc(F)ccc2)ccc1
• Canonical SMILES: O=C1OCCC1NC(=O)c1cccc(c1)c1cccc(c1)F
• InChI: InChI=1S/C17H14FNO3/c18-14-6-2-4-12(10-14)11-3-1-5-13(9-11)16(20)19-15-7-8-22-17(15)21/h1-6,9-10,15H,7-8H2,(H,19,20)
• InChIKey: WDKGFPHVBPNZOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)-N-(2-oxooxolan-3-yl)benzamide
• IUPAC Traditional name: 3-(3-fluorophenyl)-N-(2-oxooxolan-3-yl)benzamide
• Synonyms: 3'-fluoro-N-(2-oxotetrahydro-3-furanyl)-3-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.085231
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5617578
• LogD (pH = 7.4): 2.5617578
• Log P: 2.5617578
• Molar Refractivity: 78.8811 cm^3
• Polarizability: 31.162178 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -4.09
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3