1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

C24H20BrNO2 — CID 50774220

IUPAC1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccccc2Br)cc1
InChIInChI=1S/C24H20BrNO2/c1-16-11-13-18(14-12-16)21-22(19-9-5-6-10-20(19)25)26(24(28)23(21)27)15-17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3
InChIKeyWBTKPSQCMZGYTO-UHFFFAOYSA-N
MW434.33 g/mol
LogP5.81
Rot. Bonds4

About 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 50774220) has the molecular formula C24H20BrNO2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID50774220
Molecular FormulaC24H20BrNO2
Molecular Weight434.33 g/mol
Exact Mass433.07
IUPAC Name1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccccc2Br)cc1
InChIInChI=1S/C24H20BrNO2/c1-16-11-13-18(14-12-16)21-22(19-9-5-6-10-20(19)25)26(24(28)23(21)27)15-17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3
InChIKeyWBTKPSQCMZGYTO-UHFFFAOYSA-N
XLogP5.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 50774220) is 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccccc2Br)cc1.
What is the InChIKey of 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is WBTKPSQCMZGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO2/c1-16-11-13-18(14-12-16)21-22(19-9-5-6-10-20(19)25)26(24(28)23(21)27)15-17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3.
What are the key properties of 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 434.33 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50774220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).