ChemSpider 2D Image | 2-Chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl}amino)phenyl]benzamide | C23H17ClFN5O2

2-Chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl}amino)phenyl]benzamide

  • Molecular FormulaC23H17ClFN5O2
  • Average mass449.865 Da
  • Monoisotopic mass449.105469 Da
  • ChemSpider ID23338227

More details:

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

2-Chlor-N-[4-({5-fluor-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl}amino)phenyl]benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl}amino)phenyl]benzamide [ACD/IUPAC Name]
2-Chloro-N-[4-({5-fluoro-2-[(4-hydroxyphényl)amino]-4-pyrimidinyl}amino)phényl]benzamide [French] [ACD/IUPAC Name]
2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
2,4-Bisanilinopyrimidine, 5
2-Chloro-N-(4-(5-fluoro-2-(4-hydroxyphenylamino)pyrimidin-4-ylamino)phenyl)benzamide
48B
benzamide, 2-chloro-N-[4-[[5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523991/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 267.69
ACD/KOC (pH 5.5): 1871.53
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.35
ACD/KOC (pH 7.4): 1967.02
Polar Surface Area: 99 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 301.4±3.0 cm3

Click to predict properties on the Chemicalize site


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