2,6-difluoro-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

• ChemBase ID: 458994
• Molecular Formular: C20H22F2N2O
• Molecular Mass: 344.3982864
• Monoisotopic Mass: 344.17001977
• SMILES: C(=O)(c1c(F)cccc1F)NC1CN(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1c(F)cccc1F)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C20H22F2N2O/c21-17-9-4-10-18(22)19(17)20(25)23-16-8-5-12-24(14-16)13-11-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,23,25)
• InChIKey: AZGHXJJYTIWWOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 2,6-difluoro-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• Synonyms: 2,6-difluoro-N-[1-(2-phenylethyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.822571
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3363404
• LogD (pH = 7.4): 3.1033258
• Log P: 3.8303094
• Molar Refractivity: 95.0638 cm^3
• Polarizability: 35.691414 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.55
• LOG S: -4.62
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5