6-{3-[(2-fluorophenyl)methoxy]phenyl}-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 715720
• Molecular Formular: C21H19FN2O2
• Molecular Mass: 350.3861632
• Monoisotopic Mass: 350.14305608
• SMILES: C(=O)(c1cnc(c2cc(OCc3c(F)cccc3)ccc2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(nc1)c1cccc(c1)OCc1ccccc1F)C
• InChI: InChI=1S/C21H19FN2O2/c1-24(2)21(25)16-10-11-20(23-13-16)15-7-5-8-18(12-15)26-14-17-6-3-4-9-19(17)22/h3-13H,14H2,1-2H3
• InChIKey: RVSVSLVHTOUNTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[(2-fluorophenyl)methoxy]phenyl}-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-{3-[(2-fluorophenyl)methoxy]phenyl}-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-{3-[(2-fluorobenzyl)oxy]phenyl}-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.795057
• LogD (pH = 7.4): 3.7961316
• Log P: 3.7961452
• Molar Refractivity: 98.8293 cm^3
• Polarizability: 38.65146 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.53
• LOG S: -3.92
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5