ChemSpider 2D Image | (2S)-N~8~-Hydroxy-2-[(5-oxo-D-prolyl)amino]-N~1~-[3-(trifluoromethyl)phenyl]octanediamide | C20H25F3N4O5

(2S)-N8-Hydroxy-2-[(5-oxo-D-prolyl)amino]-N1-[3-(trifluoromethyl)phenyl]octanediamide

  • Molecular FormulaC20H25F3N4O5
  • Average mass458.431 Da
  • Monoisotopic mass458.177704 Da
  • ChemSpider ID31126607

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N8-Hydroxy-2-[(5-oxo-D-prolyl)amino]-N1-[3-(trifluormethyl)phenyl]octandiamid [German] [ACD/IUPAC Name]
(2S)-N8-Hydroxy-2-[(5-oxo-D-prolyl)amino]-N1-[3-(trifluoromethyl)phenyl]octanediamide [ACD/IUPAC Name]
(2S)-N8-Hydroxy-2-[(5-oxo-D-prolyl)amino]-N1-[3-(trifluorométhyl)phényl]octanediamide [French] [ACD/IUPAC Name]
Octanediamide, N8-hydroxy-2-[[[(2R)-5-oxo-2-pyrrolidinyl]carbonyl]amino]-N1-[3-(trifluoromethyl)phenyl]-, (2S)- [ACD/Index Name]
(S)-N8-Hydroxy-2-((R)-5-oxopyrrolidine-2-carboxamido)-N1-(3-(trifluoromethyl)phenyl)octanediamide
1528755-83-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.49
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.27
Polar Surface Area: 137 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 335.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement