N-cyclopropyl-2-fluoro-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide

• ChemBase ID: 827864
• Molecular Formular: C22H24FNO3
• Molecular Mass: 369.4292632
• Monoisotopic Mass: 369.17402185
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCC2OCCC2)ccc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1C(=O)N(C1CC1)Cc1cccc(c1)OCC1CCCO1
• InChI: InChI=1S/C22H24FNO3/c23-21-9-2-1-8-20(21)22(25)24(17-10-11-17)14-16-5-3-6-18(13-16)27-15-19-7-4-12-26-19/h1-3,5-6,8-9,13,17,19H,4,7,10-12,14-15H2
• InChIKey: SEKWSISYYIARGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-fluoro-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-2-fluoro-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide
• Synonyms: N-cyclopropyl-2-fluoro-N-[3-(tetrahydro-2-furanylmethoxy)benzyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8648956
• LogD (pH = 7.4): 3.8648956
• Log P: 3.8648956
• Molar Refractivity: 101.6879 cm^3
• Polarizability: 38.90103 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.65
• LOG S: -4.56
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7