N-{[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 680362
• Molecular Formular: C21H29FN2O
• Molecular Mass: 344.4661632
• Monoisotopic Mass: 344.22639178
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)C)CC1=CCCN(C1)CCCF
• Canonical SMILES: FCCCN1CCC=C(C1)CN(C1CCCc2c1cccc2)C(=O)C
• InChI: InChI=1S/C21H29FN2O/c1-17(25)24(16-18-7-5-13-23(15-18)14-6-12-22)21-11-4-9-19-8-2-3-10-20(19)21/h2-3,7-8,10,21H,4-6,9,11-16H2,1H3
• InChIKey: RIVAWUPGETZXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-{[1-(3-fluoropropyl)-5,6-dihydro-2H-pyridin-3-yl]methyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: N-{[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.13001578
• LogD (pH = 7.4): 1.6284169
• Log P: 2.7069678
• Molar Refractivity: 101.4074 cm^3
• Polarizability: 38.58348 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: 2.64
• LOG S: -3.97
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5