7-fluoro-3-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 326423
• Molecular Formular: C15H15FN2O4
• Molecular Mass: 306.2890032
• Monoisotopic Mass: 306.10158519
• SMILES: c1(oc2c(c1C)cccc2F)C(=O)NCCN1C(=O)OCC1
• Canonical SMILES: O=C1OCCN1CCNC(=O)c1oc2c(c1C)cccc2F
• InChI: InChI=1S/C15H15FN2O4/c1-9-10-3-2-4-11(16)13(10)22-12(9)14(19)17-5-6-18-7-8-21-15(18)20/h2-4H,5-8H2,1H3,(H,17,19)
• InChIKey: ZJSAPHGLEGMGDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 7-fluoro-3-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
• Synonyms: 7-fluoro-3-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.150854
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4761151
• LogD (pH = 7.4): 1.4761151
• Log P: 1.4761151
• Molar Refractivity: 75.9542 cm^3
• Polarizability: 29.44851 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -3.81
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4