2-(4-chloro-1H-indazol-1-yl)-6-fluorobenzamide

• ChemBase ID: 673799
• Molecular Formular: C14H9ClFN3O
• Molecular Mass: 289.6921632
• Monoisotopic Mass: 289.04181782
• SMILES: n1(ncc2c1cccc2Cl)c1c(C(=O)N)c(F)ccc1
• Canonical SMILES: NC(=O)c1c(F)cccc1n1ncc2c1cccc2Cl
• InChI: InChI=1S/C14H9ClFN3O/c15-9-3-1-5-11-8(9)7-18-19(11)12-6-2-4-10(16)13(12)14(17)20/h1-7H,(H2,17,20)
• InChIKey: KEWQUMPJBPWZBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-1H-indazol-1-yl)-6-fluorobenzamide
• IUPAC Traditional name: 2-(4-chloroindazol-1-yl)-6-fluorobenzamide
• Synonyms: 2-(4-chloro-1H-indazol-1-yl)-6-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.949423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6753254
• LogD (pH = 7.4): 2.6753302
• Log P: 2.6753292
• Molar Refractivity: 74.847 cm^3
• Polarizability: 29.286575 Å^3
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.11
• LOG S: -3.97
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 2