N-butyl-N-[(4-fluorophenyl)methyl]-2-(pyridin-4-yl)acetamide

• ChemBase ID: 743312
• Molecular Formular: C18H21FN2O
• Molecular Mass: 300.3705432
• Monoisotopic Mass: 300.16379152
• SMILES: C(=O)(N(Cc1ccc(F)cc1)CCCC)Cc1ccncc1
• Canonical SMILES: CCCCN(C(=O)Cc1ccncc1)Cc1ccc(cc1)F
• InChI: InChI=1S/C18H21FN2O/c1-2-3-12-21(14-16-4-6-17(19)7-5-16)18(22)13-15-8-10-20-11-9-15/h4-11H,2-3,12-14H2,1H3
• InChIKey: VBXGVMUPVMOMFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-[(4-fluorophenyl)methyl]-2-(pyridin-4-yl)acetamide
• IUPAC Traditional name: N-butyl-N-[(4-fluorophenyl)methyl]-2-(pyridin-4-yl)acetamide
• Synonyms: N-butyl-N-(4-fluorobenzyl)-2-pyridin-4-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1114817
• LogD (pH = 7.4): 3.2231212
• Log P: 3.2248054
• Molar Refractivity: 85.5269 cm^3
• Polarizability: 32.76539 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.89
• LOG S: -2.56
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7