2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one

C23H16BrCl2NO2 — CID 50743696

IUPAC2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16BrCl2NO2/c24-17-7-3-16(4-8-17)21-20(15-5-11-19(26)12-6-15)22(28)23(29)27(21)13-14-1-9-18(25)10-2-14/h1-12,21,28H,13H2
InChIKeyUMZGQJPJHNMVTG-UHFFFAOYSA-N
MW489.20 g/mol
LogP6.81
Rot. Bonds4

About 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one

2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 50743696) has the molecular formula C23H16BrCl2NO2 and a molecular weight of 489.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID50743696
Molecular FormulaC23H16BrCl2NO2
Molecular Weight489.20 g/mol
Exact Mass486.97
IUPAC Name2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16BrCl2NO2/c24-17-7-3-16(4-8-17)21-20(15-5-11-19(26)12-6-15)22(28)23(29)27(21)13-14-1-9-18(25)10-2-14/h1-12,21,28H,13H2
InChIKeyUMZGQJPJHNMVTG-UHFFFAOYSA-N
XLogP6.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.20
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (CID 50743696) is 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(c2ccc(Cl)cc2)C(c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is UMZGQJPJHNMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrCl2NO2/c24-17-7-3-16(4-8-17)21-20(15-5-11-19(26)12-6-15)22(28)23(29)27(21)13-14-1-9-18(25)10-2-14/h1-12,21,28H,13H2.
What are the key properties of 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 489.20 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 50743696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).