N-(3-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-1-ylmethyl)benzamide

• ChemBase ID: 838587
• Molecular Formular: C19H19FN2O
• Molecular Mass: 310.3653632
• Monoisotopic Mass: 310.14814146
• SMILES: C(=O)(Nc1cc(F)ccc1)c1cc(CN2CC=CCC2)ccc1
• Canonical SMILES: Fc1cccc(c1)NC(=O)c1cccc(c1)CN1CCC=CC1
• InChI: InChI=1S/C19H19FN2O/c20-17-8-5-9-18(13-17)21-19(23)16-7-4-6-15(12-16)14-22-10-2-1-3-11-22/h1-2,4-9,12-13H,3,10-11,14H2,(H,21,23)
• InChIKey: RUYDJLLTCBVKLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-1-ylmethyl)benzamide
• IUPAC Traditional name: 3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
• Synonyms: 3-(3,6-dihydropyridin-1(2H)-ylmethyl)-N-(3-fluorophenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.385437
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.629655
• LogD (pH = 7.4): 3.3297222
• Log P: 3.7935812
• Molar Refractivity: 93.4552 cm^3
• Polarizability: 34.185772 Å^3
• Polar Surface Area: 32.34 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: 3.79
• LOG S: -4.7
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4