ChemSpider 2D Image | (2E)-3-[4-(Benzyloxy)phenyl]-N-[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]acrylamide | C31H25F3N2O4

(2E)-3-[4-(Benzyloxy)phenyl]-N-[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]acrylamide

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID67121159
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[4-(Benzyloxy)phenyl]-N-[3-(2-oxo-2-{[3-(trifluormethyl)phenyl]amino}ethoxy)phenyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)phenyl]-N-[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]acrylamide [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)phényl]-N-[3-(2-oxo-2-{[3-(trifluorométhyl)phényl]amino}éthoxy)phényl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]-3-[4-(phenylmethoxy)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53254.17
ACD/KOC (pH 5.5): 84082.48
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53253.88
ACD/KOC (pH 7.4): 84082.02
Polar Surface Area: 77 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 411.1±3.0 cm3

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