2-(dimethylamino)-2-(2-fluorophenyl)-N-[3-(pyridin-2-yl)propyl]acetamide

• ChemBase ID: 531889
• Molecular Formular: C18H22FN3O
• Molecular Mass: 315.3851832
• Monoisotopic Mass: 315.17469056
• SMILES: c1(C(C(=O)NCCCc2ncccc2)N(C)C)c(F)cccc1
• Canonical SMILES: Fc1ccccc1C(C(=O)NCCCc1ccccn1)N(C)C
• InChI: InChI=1S/C18H22FN3O/c1-22(2)17(15-10-3-4-11-16(15)19)18(23)21-13-7-9-14-8-5-6-12-20-14/h3-6,8,10-12,17H,7,9,13H2,1-2H3,(H,21,23)
• InChIKey: QYTZIGCNWFNTKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-[3-(pyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-[3-(pyridin-2-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-[3-(2-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.258473
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4207726
• LogD (pH = 7.4): 2.248445
• Log P: 2.277964
• Molar Refractivity: 88.7538 cm^3
• Polarizability: 34.293083 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -2.06
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7