ChemSpider 2D Image | 4-{2-[(4-Chloro-2-fluorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | C24H20Cl2FN5O2

4-{2-[(4-Chloro-2-fluorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC24H20Cl2FN5O2
  • Average mass500.352 Da
  • Monoisotopic mass499.097809 Da
  • ChemSpider ID24638653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, 4-[2-[(4-chloro-2-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- [ACD/Index Name]
4-{2-[(4-Chlor-2-fluorphenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorphenyl)-2-hydroxyethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-{2-[(4-Chloro-2-fluorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-{2-[(4-Chloro-2-fluorophényl)amino]-5-méthyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophényl)-2-hydroxyéthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
pyrimidylpyrrole, 11f

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2788.41
ACD/KOC (pH 5.5): 10172.91
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2795.92
ACD/KOC (pH 7.4): 10200.33
Polar Surface Area: 103 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 345.7±3.0 cm3

Click to predict properties on the Chemicalize site


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