N-{2-chloro-4-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]phenyl}-2-methoxyacetamide

• ChemBase ID: 554692
• Molecular Formular: C18H14ClF2N3O2
• Molecular Mass: 377.7724664
• Monoisotopic Mass: 377.07426082
• SMILES: c1(n(c2cc(c(NC(=O)COC)cc2)Cl)ccn1)c1c(c(F)ccc1)F
• Canonical SMILES: COCC(=O)Nc1ccc(cc1Cl)n1ccnc1c1cccc(c1F)F
• InChI: InChI=1S/C18H14ClF2N3O2/c1-26-10-16(25)23-15-6-5-11(9-13(15)19)24-8-7-22-18(24)12-3-2-4-14(20)17(12)21/h2-9H,10H2,1H3,(H,23,25)
• InChIKey: RGUSRRYOZQDDNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-chloro-4-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]phenyl}-2-methoxyacetamide
• IUPAC Traditional name: N-{2-chloro-4-[2-(2,3-difluorophenyl)imidazol-1-yl]phenyl}-2-methoxyacetamide
• Synonyms: N-{2-chloro-4-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]phenyl}-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.458994
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4964333
• LogD (pH = 7.4): 3.7104466
• Log P: 3.714218
• Molar Refractivity: 115.662 cm^3
• Polarizability: 36.362385 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -4.62
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5