ChemSpider 2D Image | 1-Benzyl-5-{4-[benzyl(ethyl)amino]phenyl}-4-(3-bromobenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C33H29BrN2O3

1-Benzyl-5-{4-[benzyl(ethyl)amino]phenyl}-4-(3-bromobenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H29BrN2O3
  • Average mass581.499 Da
  • Monoisotopic mass580.136169 Da
  • ChemSpider ID117950379

More details:

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

1-Benzyl-5-{4-[benzyl(ethyl)amino]phenyl}-4-(3-brombenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-Benzyl-5-{4-[benzyl(ethyl)amino]phenyl}-4-(3-bromobenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-Benzyl-5-{4-[benzyl(éthyl)amino]phényl}-4-(3-bromobenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 4-(3-bromobenzoyl)-5-[4-[ethyl(phenylmethyl)amino]phenyl]-1,5-dihydro-3-hydroxy-1-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 2699.99
ACD/KOC (pH 5.5): 4775.81
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 56.33
ACD/KOC (pH 7.4): 99.64
Polar Surface Area: 61 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

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