3,4-difluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide

• ChemBase ID: 542187
• Molecular Formular: C22H26F2N2O
• Molecular Mass: 372.4514464
• Monoisotopic Mass: 372.2013199
• SMILES: C(=O)(N(CC1CN(CCC1)C)CCc1ccccc1)c1cc(c(cc1)F)F
• Canonical SMILES: CN1CCCC(C1)CN(C(=O)c1ccc(c(c1)F)F)CCc1ccccc1
• InChI: InChI=1S/C22H26F2N2O/c1-25-12-5-8-18(15-25)16-26(13-11-17-6-3-2-4-7-17)22(27)19-9-10-20(23)21(24)14-19/h2-4,6-7,9-10,14,18H,5,8,11-13,15-16H2,1H3
• InChIKey: KECMNJKLYQNSEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-difluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 3,4-difluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
• Synonyms: 3,4-difluoro-N-[(1-methyl-3-piperidinyl)methyl]-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0124046
• LogD (pH = 7.4): 2.6882825
• Log P: 4.09874
• Molar Refractivity: 104.9005 cm^3
• Polarizability: 39.433506 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.45
• LOG S: -4.26
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6