ChemSpider 2D Image | (3S)-N-(3-Chloro-5-fluorobenzyl)-1-(8-fluoro-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-3-hydroxy-2-oxo-3-pyrrolidinecarboxamide | C21H18ClF2N3O4

(3S)-N-(3-Chloro-5-fluorobenzyl)-1-(8-fluoro-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-3-hydroxy-2-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC21H18ClF2N3O4
  • Average mass449.835 Da
  • Monoisotopic mass449.095398 Da
  • ChemSpider ID128435723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-(3-Chlor-5-fluorbenzyl)-1-(8-fluor-2-oxo-1,2,3,4-tetrahydro-6-chinolinyl)-3-hydroxy-2-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-(3-Chloro-5-fluorobenzyl)-1-(8-fluoro-2-oxo-1,2,3,4-tétrahydro-6-quinoléinyl)-3-hydroxy-2-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S)-N-(3-Chloro-5-fluorobenzyl)-1-(8-fluoro-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-3-hydroxy-2-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-[(3-chloro-5-fluorophenyl)methyl]-1-(8-fluoro-1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-3-hydroxy-2-oxo-, (3S)- [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: 841.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 462.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 164.53
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 164.49
Polar Surface Area: 99 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


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