ChemSpider 2D Image | Ethyl N-[(2,4-dimethoxyphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate | C20H21F3N2O5

Ethyl N-[(2,4-dimethoxyphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate

  • Molecular FormulaC20H21F3N2O5
  • Average mass426.386 Da
  • Monoisotopic mass426.140259 Da
  • ChemSpider ID21665147

More details:

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

Benzeneacetic acid, α-[[[(2,4-dimethoxyphenyl)amino]carbonyl]amino]-α-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl N-[(2,4-dimethoxyphenyl)carbamoyl]-3,3,3-trifluoro-2-phenylalaninate [ACD/IUPAC Name]
Ethyl-N-[(2,4-dimethoxyphenyl)carbamoyl]-3,3,3-trifluor-2-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2,4-Diméthoxyphényl)carbamoyl]-3,3,3-trifluoro-2-phénylalaninate d'éthyle [French] [ACD/IUPAC Name]
2-[3-(2,4-Dimethoxy-phenyl)-ureido]-3,3,3-trifluoro-2-phenyl-propionic acid ethyl ester
ETHYL 2-[(2,4-DIMETHOXYPHENYL)CARBAMOYLAMINO]-3,3,3-TRIFLUORO-2-PHENYLPROPANOATE
ethyl 2-{[N-(2,4-dimethoxyphenyl)carbamoyl]amino}-3,3,3-trifluoro-2-phenylpropanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.1±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1159.44
ACD/KOC (pH 5.5): 5414.73
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 624.79
ACD/KOC (pH 7.4): 2917.86
Polar Surface Area: 86 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

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