ChemSpider 2D Image | 2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoate | C20H17ClF3N3O4

2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoate

  • Molecular FormulaC20H17ClF3N3O4
  • Average mass455.815 Da
  • Monoisotopic mass455.085968 Da
  • ChemSpider ID30578740

More details:

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

2-{[3-Chlor-5-(trifluormethyl)-2-pyridinyl]amino}-2-oxoethyl-3-[(2-oxo-1-pyrrolidinyl)methyl]benzoat [German] [ACD/IUPAC Name]
2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoate [ACD/IUPAC Name]
3-[(2-Oxo-1-pyrrolidinyl)méthyl]benzoate de 2-{[3-chloro-5-(trifluorométhyl)-2-pyridinyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2-oxo-1-pyrrolidinyl)methyl]-, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.03
ACD/KOC (pH 5.5): 2137.56
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.11
ACD/KOC (pH 7.4): 2124.52
Polar Surface Area: 89 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

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