ChemSpider 2D Image | N-(1-{[2-(4-Chlorophenyl)-2-cyclopentylethyl]amino}-1-oxo-2-pentanyl)-2-(2-methyl-2-propanyl)-1,3-dioxo-5-isoindolinecarboxamide | C31H38ClN3O4

N-(1-{[2-(4-Chlorophenyl)-2-cyclopentylethyl]amino}-1-oxo-2-pentanyl)-2-(2-methyl-2-propanyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID121006129

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[[2-(4-chlorophenyl)-2-cyclopentylethyl]amino]carbonyl]butyl]-2-(1,1-dimethylethyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
N-(1-{[2-(4-Chlorophenyl)-2-cyclopentylethyl]amino}-1-oxo-2-pentanyl)-2-(2-methyl-2-propanyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
N-(1-{[2-(4-Chlorophényl)-2-cyclopentyléthyl]amino}-1-oxo-2-pentanyl)-2-(2-méthyl-2-propanyl)-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]
N-(1-{[2-(4-Chlorphenyl)-2-cyclopentylethyl]amino}-1-oxo-2-pentanyl)-2-(2-methyl-2-propanyl)-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8027.51
ACD/KOC (pH 5.5): 21701.50
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8027.48
ACD/KOC (pH 7.4): 21701.40
Polar Surface Area: 96 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 449.2±3.0 cm3

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