ChemSpider 2D Image | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline | C18H18BrClN2O

4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline

  • Molecular FormulaC18H18BrClN2O
  • Average mass393.705 Da
  • Monoisotopic mass392.029083 Da
  • ChemSpider ID25057086

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2-Amino-5-bromophenyl)[(2R)-2-(2-chlorobenzyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(2-Amino-5-bromophényl)[(2R)-2-(2-chlorobenzyl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
(2-Amino-5-bromphenyl)[(2R)-2-(2-chlorbenzyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
Methanone, (2-amino-5-bromophenyl)[(2R)-2-[(2-chlorophenyl)methyl]-1-pyrrolidinyl]- [ACD/Index Name]
4-bromo-2-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]aniline
4-bromo-2-{[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]carbonyl}aniline
SX4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±28.7 °C
Index of Refraction: 1.657
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1931.34
ACD/KOC (pH 5.5): 7827.24
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1931.44
ACD/KOC (pH 7.4): 7827.64
Polar Surface Area: 46 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 265.5±3.0 cm3

Click to predict properties on the Chemicalize site


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