ChemSpider 2D Image | (2E)-N-(2-Amino-4-methylphenyl)-3-[4-(2-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-oxoethoxy)-3-methoxyphenyl]acrylamide | C27H23F6N3O4

(2E)-N-(2-Amino-4-methylphenyl)-3-[4-(2-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-oxoethoxy)-3-methoxyphenyl]acrylamide

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID30839281

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(2-Amino-4-methylphenyl)-3-[4-(2-{[3,5-bis(trifluormethyl)phenyl]amino}-2-oxoethoxy)-3-methoxyphenyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(2-Amino-4-methylphenyl)-3-[4-(2-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-oxoethoxy)-3-methoxyphenyl]acrylamide [ACD/IUPAC Name]
(2E)-N-(2-Amino-4-méthylphényl)-3-[4-(2-{[3,5-bis(trifluorométhyl)phényl]amino}-2-oxoéthoxy)-3-méthoxyphényl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-(2-amino-4-methylphenyl)-3-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxoethoxy]-3-methoxyphenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 702.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6581.61
ACD/KOC (pH 5.5): 17764.84
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8048.70
ACD/KOC (pH 7.4): 21724.76
Polar Surface Area: 103 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

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