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

C24H20BrNO2 — CID 51982037

IUPAC(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C24H20BrNO2/c1-16-11-13-17(14-12-16)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)18-7-3-2-4-8-18/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyDMKTVASFWAEOJQ-JOCHJYFZSA-N
MW434.33 g/mol
LogP5.81
Rot. Bonds4

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

(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 51982037) has the molecular formula C24H20BrNO2 and a molecular weight of 434.33 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID51982037
Molecular FormulaC24H20BrNO2
Molecular Weight434.33 g/mol
Exact Mass433.07
IUPAC Name(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C24H20BrNO2/c1-16-11-13-17(14-12-16)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)18-7-3-2-4-8-18/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyDMKTVASFWAEOJQ-JOCHJYFZSA-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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Related Compounds

1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774220
(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072902
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2S)-2-(2-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-2H-pyrrol-5-one
CID 94073154
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
(2R)-2-(2-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 51982056
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2R)-2-(2-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073075
2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774388
1-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 50774033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 51982037) is (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2Br)cc1.
What is the InChIKey of (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is DMKTVASFWAEOJQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20BrNO2/c1-16-11-13-17(14-12-16)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)18-7-3-2-4-8-18/h2-14,22,27H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-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 (2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 51982037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).