ChemSpider 2D Image | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide | C27H18ClF6N3O4

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide

  • Molecular FormulaC27H18ClF6N3O4
  • Average mass597.893 Da
  • Monoisotopic mass597.088989 Da
  • ChemSpider ID3108105

More details:

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

2-Propenamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]- [ACD/Index Name]
N-[2-Chlor-5-(trifluormethyl)phenyl]-2-cyan-3-[3-methoxy-4-(2-oxo-2-{[3-(trifluormethyl)phenyl]amino}ethoxy)phenyl]acrylamid [German] [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]acrylamide [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluorométhyl)phényl]-2-cyano-3-[3-méthoxy-4-(2-oxo-2-{[3-(trifluorométhyl)phényl]amino}éthoxy)phényl]acrylamide [French] [ACD/IUPAC Name]
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34574.42
ACD/KOC (pH 5.5): 61717.61
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34242.12
ACD/KOC (pH 7.4): 61124.43
Polar Surface Area: 100 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

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