ChemSpider 2D Image | (3S,4S)-N-(3,5-Dichlorophenyl)-3-hydroxy-4-(1-piperidinyl)-1-pyrrolidinecarboxamide | C16H21Cl2N3O2

(3S,4S)-N-(3,5-Dichlorophenyl)-3-hydroxy-4-(1-piperidinyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC16H21Cl2N3O2
  • Average mass358.263 Da
  • Monoisotopic mass357.101074 Da
  • ChemSpider ID30983541

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-N-(3,5-Dichlorophenyl)-3-hydroxy-4-(1-piperidinyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-N-(3,5-Dichlorophényl)-3-hydroxy-4-(1-pipéridinyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S,4S)-N-(3,5-Dichlorphenyl)-3-hydroxy-4-(1-piperidinyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, N-(3,5-dichlorophenyl)-3-hydroxy-4-(1-piperidinyl)-, (3S,4S)- [ACD/Index Name]
(3S*,4S*)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 11.34
ACD/KOC (pH 7.4): 103.68
Polar Surface Area: 56 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 250.4±3.0 cm3

Click to predict properties on the Chemicalize site


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