N-(3-fluorophenyl)-4-{[2-(2-hydroxyethyl)piperidin-1-yl]methyl}benzamide

• ChemBase ID: 681364
• Molecular Formular: C21H25FN2O2
• Molecular Mass: 356.4338032
• Monoisotopic Mass: 356.19000627
• SMILES: N1(Cc2ccc(C(=O)Nc3cc(F)ccc3)cc2)C(CCO)CCCC1
• Canonical SMILES: OCCC1CCCCN1Cc1ccc(cc1)C(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C21H25FN2O2/c22-18-4-3-5-19(14-18)23-21(26)17-9-7-16(8-10-17)15-24-12-2-1-6-20(24)11-13-25/h3-5,7-10,14,20,25H,1-2,6,11-13,15H2,(H,23,26)
• InChIKey: UUSZVBXCSZIYIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-4-{[2-(2-hydroxyethyl)piperidin-1-yl]methyl}benzamide
• IUPAC Traditional name: N-(3-fluorophenyl)-4-{[2-(2-hydroxyethyl)piperidin-1-yl]methyl}benzamide
• Synonyms: N-(3-fluorophenyl)-4-{[2-(2-hydroxyethyl)piperidin-1-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.40818
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22116172
• LogD (pH = 7.4): 1.8078189
• Log P: 3.4292202
• Molar Refractivity: 103.3205 cm^3
• Polarizability: 38.731285 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.68
• LOG S: -4.94
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6