3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one

C32H22ClNO5 — CID 108712198

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
SMILESCc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C32H22ClNO5/c1-19-8-5-6-13-25(19)34-29(20-9-7-12-24(17-20)38-23-10-3-2-4-11-23)28(31(36)32(34)37)30(35)27-18-21-16-22(33)14-15-26(21)39-27/h2-18,29,36H,1H3
InChIKeyDDRLLOICTAGJHE-UHFFFAOYSA-N
MW535.98 g/mol
LogP7.97
Rot. Bonds6

About 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108712198) has the molecular formula C32H22ClNO5 and a molecular weight of 535.98 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
PubChem CID108712198
Molecular FormulaC32H22ClNO5
Molecular Weight535.98 g/mol
Exact Mass535.12
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
SMILESCc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C32H22ClNO5/c1-19-8-5-6-13-25(19)34-29(20-9-7-12-24(17-20)38-23-10-3-2-4-11-23)28(31(36)32(34)37)30(35)27-18-21-16-22(33)14-15-26(21)39-27/h2-18,29,36H,1H3
InChIKeyDDRLLOICTAGJHE-UHFFFAOYSA-N
XLogP7.97
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.98
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(4-phenoxyphenyl)-2H-pyrrol-5-one
CID 108714404
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591483
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584704
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647665
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639768
[3-[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108688015
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108605018
2-(4-tert-butylphenyl)-3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108718145
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626045
3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591875
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108715970
4-[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]benzonitrile
CID 108671611

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one (CID 108712198) is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one is Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is DDRLLOICTAGJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClNO5/c1-19-8-5-6-13-25(19)34-29(20-9-7-12-24(17-20)38-23-10-3-2-4-11-23)28(31(36)32(34)37)30(35)27-18-21-16-22(33)14-15-26(21)39-27/h2-18,29,36H,1H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 535.98 g/mol, XLogP of 7.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108712198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).