ChemSpider 2D Image | (2Z)-3-(3-Chloro-4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]acrylamide | C29H24ClFN4O4

(2Z)-3-(3-Chloro-4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]acrylamide

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID81337033

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3-Chlor-4-{2-[(4-fluorphenyl)amino]-2-oxoethoxy}-5-methoxyphenyl)-2-cyan-N-[2-(1H-indol-3-yl)ethyl]acrylamid [German] [ACD/IUPAC Name]
(2Z)-3-(3-Chloro-4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]acrylamide [ACD/IUPAC Name]
(2Z)-3-(3-Chloro-4-{2-[(4-fluorophényl)amino]-2-oxoéthoxy}-5-méthoxyphényl)-2-cyano-N-[2-(1H-indol-3-yl)éthyl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[3-chloro-4-[2-[(4-fluorophenyl)amino]-2-oxoethoxy]-5-methoxyphenyl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-, (2Z)- [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: 878.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.9±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1861.16
ACD/KOC (pH 5.5): 7622.68
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1861.10
ACD/KOC (pH 7.4): 7622.43
Polar Surface Area: 116 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

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