2-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

• ChemBase ID: 628721
• Molecular Formular: C18H18FNO2
• Molecular Mass: 299.3394232
• Monoisotopic Mass: 299.13215704
• SMILES: c1(c(C(=O)NCC2(COC2)C)cccc1)c1c(F)cccc1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1F)NCC1(C)COC1
• InChI: InChI=1S/C18H18FNO2/c1-18(11-22-12-18)10-20-17(21)15-8-3-2-6-13(15)14-7-4-5-9-16(14)19/h2-9H,10-12H2,1H3,(H,20,21)
• InChIKey: HAZZWWGPQNEPSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
• IUPAC Traditional name: 2-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
• Synonyms: 2'-fluoro-N-[(3-methyloxetan-3-yl)methyl]biphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.315223
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0599546
• LogD (pH = 7.4): 3.0599546
• Log P: 3.0599546
• Molar Refractivity: 83.5673 cm^3
• Polarizability: 32.93047 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.93
• LOG S: -3.88
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4