ChemSpider 2D Image | N-{6-[4-({[4-Chloro-3-(1,1-difluoroethyl)phenyl]carbamoyl}amino)-2-fluoro-5-methylphenoxy]-4-pyrimidinyl}cyclopropanecarboxamide | C24H21ClF3N5O3

N-{6-[4-({[4-Chloro-3-(1,1-difluoroethyl)phenyl]carbamoyl}amino)-2-fluoro-5-methylphenoxy]-4-pyrimidinyl}cyclopropanecarboxamide

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID76720235

More details:

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

Cyclopropanecarboxamide, N-[6-[4-[[[[4-chloro-3-(1,1-difluoroethyl)phenyl]amino]carbonyl]amino]-2-fluoro-5-methylphenoxy]-4-pyrimidinyl]- [ACD/Index Name]
N-{6-[4-({[4-Chlor-3-(1,1-difluorethyl)phenyl]carbamoyl}amino)-2-fluor-5-methylphenoxy]-4-pyrimidinyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{6-[4-({[4-Chloro-3-(1,1-difluoroethyl)phenyl]carbamoyl}amino)-2-fluoro-5-methylphenoxy]-4-pyrimidinyl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{6-[4-({[4-Chloro-3-(1,1-difluoroéthyl)phényl]carbamoyl}amino)-2-fluoro-5-méthylphénoxy]-4-pyrimidinyl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.1±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12072.97
ACD/KOC (pH 5.5): 29055.52
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12072.58
ACD/KOC (pH 7.4): 29054.57
Polar Surface Area: 105 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

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