ChemSpider 2D Image | 5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide | C22H20ClFN4O3S

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

  • Molecular FormulaC22H20ClFN4O3S
  • Average mass474.936 Da
  • Monoisotopic mass474.092865 Da
  • ChemSpider ID24622378
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Pyrrolidineacetamide, 3-[[(5-chloro-2-thienyl)carbonyl]amino]-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]- [ACD/Index Name]
5-Chlor-N-[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-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]amino}-2-oxoéthyl)-3-pyrrolidinyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
(R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)cyclopenta-1,3-dienecarboxamide
5-chloro-N-[(3R)-1-({[2-fluoro-4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]carbamoyl}methyl)pyrrolidin-3-yl]thiophene-2-carboxamide
5-chloro-N-[(3R)-1-({[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]carbamoyl}methyl)pyrrolidin-3-yl]thiophene-2-carboxamide
H22

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 136.49
Polar Surface Area: 110 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

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