ChemSpider 2D Image | 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide | C23H29FN2O4

2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide

  • Molecular FormulaC23H29FN2O4
  • Average mass416.486 Da
  • Monoisotopic mass416.211151 Da
  • ChemSpider ID24670514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
Benzamide, N-butyl-2-fluoro-6-[2-[[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]amino]-2-oxoethoxy]-N-methyl- [ACD/Index Name]
N-Butyl-2-fluor-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)-N-methylbenzamid [German] [ACD/IUPAC Name]
N-Butyl-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)-N-methylbenzamide [ACD/IUPAC Name]
N-Butyl-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phényl-2-propanyl]amino}-2-oxoéthoxy)-N-méthylbenzamide [French] [ACD/IUPAC Name]
LT6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.00
ACD/KOC (pH 5.5): 713.36
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 68.00
ACD/KOC (pH 7.4): 713.36
Polar Surface Area: 79 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 353.0±3.0 cm3

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