ChemSpider 2D Image | (2E)-N-{2-[(4-Acetamidophenyl)amino]-2-oxoethyl}-N-ethyl-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylamide | C26H28FN5O3

(2E)-N-{2-[(4-Acetamidophenyl)amino]-2-oxoethyl}-N-ethyl-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylamide

  • Molecular FormulaC26H28FN5O3
  • Average mass477.531 Da
  • Monoisotopic mass477.217621 Da
  • ChemSpider ID22833795
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-N-{2-[(4-Acetamidophenyl)amino]-2-oxoethyl}-N-ethyl-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylamide [ACD/IUPAC Name]
(2E)-N-{2-[(4-Acétamidophényl)amino]-2-oxoéthyl}-N-éthyl-3-[1-(4-fluorophényl)-3,5-diméthyl-1H-pyrazol-4-yl]acrylamide [French] [ACD/IUPAC Name]
(2E)-N-{2-[(4-Acetamidophenyl)amino]-2-oxoethyl}-N-ethyl-3-[1-(4-fluorphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, N-[2-[[4-(acetylamino)phenyl]amino]-2-oxoethyl]-N-ethyl-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.59
ACD/KOC (pH 5.5): 560.82
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.60
ACD/KOC (pH 7.4): 560.89
Polar Surface Area: 96 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 392.1±7.0 cm3

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