ChemSpider 2D Image | N-(2-{[(3S,4S)-4-Ethoxy-3-pyrrolidinyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide | C16H20F3N3O3

N-(2-{[(3S,4S)-4-Ethoxy-3-pyrrolidinyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide

  • Molecular FormulaC16H20F3N3O3
  • Average mass359.344 Da
  • Monoisotopic mass359.145691 Da
  • ChemSpider ID29211835

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

708273-42-1 [RN]
Benzamide, N-[2-[[(3S,4S)-4-ethoxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-(2-{[(3S,4S)-4-Ethoxy-3-pyrrolidinyl]amino}-2-oxoethyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[(3S,4S)-4-Ethoxy-3-pyrrolidinyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(2-{[(3S,4S)-4-Éthoxy-3-pyrrolidinyl]amino}-2-oxoéthyl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[2-[[(3S,4S)-4-Ethoxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
N-(2-(((3S,4S)-4-ethoxypyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
N-(2-((3S,4S)-4-ethoxypyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.24
Polar Surface Area: 79 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

Click to predict properties on the Chemicalize site


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