ChemSpider 2D Image | 2-Chloro-4-fluoro-N-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)benzamide | C22H16ClFN6O

2-Chloro-4-fluoro-N-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)benzamide

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID58526526

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Chlor-4-fluor-N-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-4-fluoro-N-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)benzamide [ACD/IUPAC Name]
2-Chloro-4-fluoro-N-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-4-fluoro-N-[4-[[6-(2-pyridinylamino)-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
2-chloro-4-fluoro-N-(4-((6-(pyridin-2-ylamino)pyrimidin-4-yl)amino)phenyl)benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 575.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.9±30.1 °C
Index of Refraction: 1.734
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 913.62
ACD/KOC (pH 5.5): 4108.34
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1331.88
ACD/KOC (pH 7.4): 5989.13
Polar Surface Area: 92 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site


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