3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one

C26H18ClNO4 — CID 3322092

IUPAC3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C26H18ClNO4/c27-19-11-6-10-18(13-19)23-22(24(29)21-14-17-9-4-5-12-20(17)32-21)25(30)26(31)28(23)15-16-7-2-1-3-8-16/h1-14,23,30H,15H2
InChIKeyMAIPQZAUZMHTQL-UHFFFAOYSA-N
MW443.89 g/mol
LogP5.86
Rot. Bonds5

About 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 3322092) has the molecular formula C26H18ClNO4 and a molecular weight of 443.89 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID3322092
Molecular FormulaC26H18ClNO4
Molecular Weight443.89 g/mol
Exact Mass443.09
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C26H18ClNO4/c27-19-11-6-10-18(13-19)23-22(24(29)21-14-17-9-4-5-12-20(17)32-21)25(30)26(31)28(23)15-16-7-2-1-3-8-16/h1-14,23,30H,15H2
InChIKeyMAIPQZAUZMHTQL-UHFFFAOYSA-N
XLogP5.86
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108694543
3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 4175163
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3270102
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108648065
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721492
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[(3-propan-2-yloxyphenyl)methyl]-2H-pyrrol-5-one
CID 108699939
3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108701295
(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 40835948
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-propyl-2H-pyrrol-5-one
CID 108640583
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3316718
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692672
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-pentyl-2H-pyrrol-5-one
CID 108648601

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 3322092) is 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is MAIPQZAUZMHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO4/c27-19-11-6-10-18(13-19)23-22(24(29)21-14-17-9-4-5-12-20(17)32-21)25(30)26(31)28(23)15-16-7-2-1-3-8-16/h1-14,23,30H,15H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 443.89 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-benzyl-2-(3-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 3322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).