ChemSpider 2D Image | (1S,3S)-N-(2,3-Dimethoxybenzyl)-N-(2-fluorobenzyl)-3-hydroxycyclohexanecarboxamide | C23H28FNO4

(1S,3S)-N-(2,3-Dimethoxybenzyl)-N-(2-fluorobenzyl)-3-hydroxycyclohexanecarboxamide

  • Molecular FormulaC23H28FNO4
  • Average mass401.471 Da
  • Monoisotopic mass401.200226 Da
  • ChemSpider ID35040753

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-N-(2,3-Dimethoxybenzyl)-N-(2-fluorbenzyl)-3-hydroxycyclohexancarboxamid [German] [ACD/IUPAC Name]
(1S,3S)-N-(2,3-Dimethoxybenzyl)-N-(2-fluorobenzyl)-3-hydroxycyclohexanecarboxamide [ACD/IUPAC Name]
(1S,3S)-N-(2,3-Diméthoxybenzyl)-N-(2-fluorobenzyl)-3-hydroxycyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-[(2,3-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-hydroxy-, (1S,3S)- [ACD/Index Name]
trans-N-(2,3-dimethoxybenzyl)-N-(2-fluorobenzyl)-3-hydroxycyclohexanecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.08
ACD/KOC (pH 5.5): 865.50
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.08
ACD/KOC (pH 7.4): 865.50
Polar Surface Area: 59 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site


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