N-[2-(3-chlorophenyl)ethyl]-2-(1,2,3,6-tetrahydropyridin-1-yl)acetamide

• ChemBase ID: 865881
• Molecular Formular: C15H19ClN2O
• Molecular Mass: 278.77716
• Monoisotopic Mass: 278.11859092
• SMILES: N1(CC(=O)NCCc2cc(Cl)ccc2)CC=CCC1
• Canonical SMILES: O=C(CN1CCC=CC1)NCCc1cccc(c1)Cl
• InChI: InChI=1S/C15H19ClN2O/c16-14-6-4-5-13(11-14)7-8-17-15(19)12-18-9-2-1-3-10-18/h1-2,4-6,11H,3,7-10,12H2,(H,17,19)
• InChIKey: KYNOJGRTZZZYRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-chlorophenyl)ethyl]-2-(1,2,3,6-tetrahydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(3-chlorophenyl)ethyl]-2-(3,6-dihydro-2H-pyridin-1-yl)acetamide
• Synonyms: N-[2-(3-chlorophenyl)ethyl]-2-(3,6-dihydropyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.921263
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.57060677
• LogD (pH = 7.4): 2.1027708
• Log P: 2.3464172
• Molar Refractivity: 80.0686 cm^3
• Polarizability: 30.52541 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: 3.18
• LOG S: -3.95
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5