1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one

C23H18ClNO2 — CID 72546124

IUPAC1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2ccc(Cl)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18ClNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyMUBBWPMJPJNBMW-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.61
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one

1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one (PubChem CID 72546124) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
PubChem CID72546124
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2ccc(Cl)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18ClNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyMUBBWPMJPJNBMW-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(3,4-dichlorophenyl)ethyl]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
CID 126842881
(4E)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-[2-(3,4-dichlorophenyl)ethyl]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
CID 126842888
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(4-chlorophenyl)methanone
CID 54587075
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine-2,3-dione
CID 126842870
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[(3,5-difluorophenyl)methyl]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
CID 126842877
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(2,4-dichlorophenyl)ethyl]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
CID 126842880
[(4R,4aS,8aS)-4-(4-chlorophenyl)-4-hydroxy-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54580224
[(4R,4aS,8aS)-4-(3-chlorophenyl)-4-hydroxy-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54580225
[(4R,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(4-chlorophenyl)methanone
CID 54587073
2-(4-Chlorobenzyl)-3-(4-chlorophenyl)-3-hydroxyisoindolinone
CID 51349563
3-(4-Chlorophenyl)-3-hydroxy-2-phenethylisoindolin-1-one
CID 51349836
4-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}butanoic acid
CID 5911039

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one (CID 72546124) is 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one is O=C1C(c2ccc(Cl)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The InChIKey is MUBBWPMJPJNBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one has a molecular weight of 375.86 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-5-hydroxy-5-phenylpyrrol-2-one is sourced from PubChem (CID 72546124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).