3,5-difluoro-4-methoxy-N-methyl-N-(pyrazin-2-ylmethyl)benzamide

• ChemBase ID: 719569
• Molecular Formular: C14H13F2N3O2
• Molecular Mass: 293.2687264
• Monoisotopic Mass: 293.09758311
• SMILES: C(=O)(c1cc(c(c(c1)F)OC)F)N(Cc1nccnc1)C
• Canonical SMILES: COc1c(F)cc(cc1F)C(=O)N(Cc1cnccn1)C
• InChI: InChI=1S/C14H13F2N3O2/c1-19(8-10-7-17-3-4-18-10)14(20)9-5-11(15)13(21-2)12(16)6-9/h3-7H,8H2,1-2H3
• InChIKey: YJYGOMMTSKHAGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-methoxy-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
• IUPAC Traditional name: 3,5-difluoro-4-methoxy-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
• Synonyms: 3,5-difluoro-4-methoxy-N-methyl-N-(2-pyrazinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7695681
• LogD (pH = 7.4): 0.76957095
• Log P: 0.769571
• Molar Refractivity: 71.6024 cm^3
• Polarizability: 26.651035 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.5
• LOG S: -2.33
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3