ChemSpider 2D Image | 1-[1-(Adamantan-1-yl)ethyl]-4-(3-aminobenzoyl)-5-{4-[(2-chlorobenzyl)oxy]phenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C36H37ClN2O4

1-[1-(Adamantan-1-yl)ethyl]-4-(3-aminobenzoyl)-5-{4-[(2-chlorobenzyl)oxy]phenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC36H37ClN2O4
  • Average mass597.143 Da
  • Monoisotopic mass596.244202 Da
  • ChemSpider ID119057881

More details:

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

1-[1-(Adamantan-1-yl)ethyl]-4-(3-aminobenzoyl)-5-{4-[(2-chlorbenzyl)oxy]phenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[1-(Adamantan-1-yl)ethyl]-4-(3-aminobenzoyl)-5-{4-[(2-chlorobenzyl)oxy]phenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[1-(Adamantan-1-yl)éthyl]-4-(3-aminobenzoyl)-5-{4-[(2-chlorobenzyl)oxy]phényl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 4-(3-aminobenzoyl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-1,5-dihydro-3-hydroxy-1-(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.9±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 4287.18
ACD/KOC (pH 5.5): 7000.19
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 74.45
ACD/KOC (pH 7.4): 121.56
Polar Surface Area: 93 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 445.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement