3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C30H26ClNO5 — CID 108679597

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C30H26ClNO5/c1-4-36-23-7-5-6-22(16-23)32-27(19-10-8-18(9-11-19)17(2)3)26(29(34)30(32)35)28(33)25-15-20-14-21(31)12-13-24(20)37-25/h5-17,27,34H,4H2,1-3H3
InChIKeyIABLQSMANFIZBE-UHFFFAOYSA-N
MW515.99 g/mol
LogP7.39
Rot. Bonds7

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 108679597) has the molecular formula C30H26ClNO5 and a molecular weight of 515.99 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID108679597
Molecular FormulaC30H26ClNO5
Molecular Weight515.99 g/mol
Exact Mass515.15
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C30H26ClNO5/c1-4-36-23-7-5-6-22(16-23)32-27(19-10-8-18(9-11-19)17(2)3)26(29(34)30(32)35)28(33)25-15-20-14-21(31)12-13-24(20)37-25/h5-17,27,34H,4H2,1-3H3
InChIKeyIABLQSMANFIZBE-UHFFFAOYSA-N
XLogP7.39
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.99
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108678650
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674481
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108715709
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597798
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-diethoxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108708328
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674742
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[4-(dimethylamino)phenyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679684
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108717191
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108606758
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591048
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589136
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(3-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108675875

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 108679597) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is IABLQSMANFIZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO5/c1-4-36-23-7-5-6-22(16-23)32-27(19-10-8-18(9-11-19)17(2)3)26(29(34)30(32)35)28(33)25-15-20-14-21(31)12-13-24(20)37-25/h5-17,27,34H,4H2,1-3H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 515.99 g/mol, XLogP of 7.39, 7 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)-1-(3-ethoxyphenyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).