ChemSpider 2D Image | N-[(2S)-1-Benzyl-2-methyl-3-pyrrolidinyl]-5-chloro-2-methoxy-4-(methylamino)benzamide | C21H26ClN3O2

N-[(2S)-1-Benzyl-2-methyl-3-pyrrolidinyl]-5-chloro-2-methoxy-4-(methylamino)benzamide

  • Molecular FormulaC21H26ClN3O2
  • Average mass387.903 Da
  • Monoisotopic mass387.171356 Da
  • ChemSpider ID29787577

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, 5-chloro-2-methoxy-4-(methylamino)-N-[(2S)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]- [ACD/Index Name]
N-[(2S)-1-Benzyl-2-methyl-3-pyrrolidinyl]-5-chlor-2-methoxy-4-(methylamino)benzamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Benzyl-2-methyl-3-pyrrolidinyl]-5-chloro-2-methoxy-4-(methylamino)benzamide [ACD/IUPAC Name]
N-[(2S)-1-Benzyl-2-méthyl-3-pyrrolidinyl]-5-chloro-2-méthoxy-4-(méthylamino)benzamide [French] [ACD/IUPAC Name]
752154-64-6 [RN]
trans-5-Chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]-benzamide
transNemonapride
trans-Nemonapride

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 16.24
ACD/KOC (pH 7.4): 127.73
Polar Surface Area: 54 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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