ChemSpider 2D Image | 5-Chloro-N-[4-fluoro-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide | C22H19ClF2N4O3S

5-Chloro-N-[4-fluoro-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide

  • Molecular FormulaC22H19ClF2N4O3S
  • Average mass492.926 Da
  • Monoisotopic mass492.083435 Da
  • ChemSpider ID24617096
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-Pyrrolidineacetamide, 3-[[(5-chloro-2-thienyl)carbonyl]amino]-4-fluoro-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]- [ACD/Index Name]
5-Chlor-N-[4-fluor-1-(2-{[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-[4-fluoro-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Chloro-N-[4-fluoro-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]amino}-2-oxoéthyl)-3-pyrrolidinyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE
5-chloro-N-((3S,4S)-4-fluoro-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)thiophene-2-carboxamide
5-chloro-N-[(3S,4S)-4-fluoro-1-({[2-fluoro-4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]carbamoyl}methyl)pyrrolidin-3-yl]thiophene-2-carboxamide
5-chloro-N-[(3S,4S)-4-fluoro-1-({[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]carbamoyl}methyl)pyrrolidin-3-yl]thiophene-2-carboxamide
LZG

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.88
ACD/KOC (pH 5.5): 106.24
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 113.38
Polar Surface Area: 110 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 324.6±5.0 cm3

Click to predict properties on the Chemicalize site






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