3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

C27H26ClNO7 — CID 108580378

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1OC
InChIInChI=1S/C27H26ClNO7/c1-33-18-9-8-14(11-19(18)34-2)23-22(25(31)27(32)29(23)17-6-4-5-7-17)24(30)20-12-15-10-16(28)13-21(35-3)26(15)36-20/h8-13,17,23,31H,4-7H2,1-3H3
InChIKeyUUGIFTIBSFAWTM-UHFFFAOYSA-N
MW511.96 g/mol
LogP5.63
Rot. Bonds7

About 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108580378) has the molecular formula C27H26ClNO7 and a molecular weight of 511.96 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108580378
Molecular FormulaC27H26ClNO7
Molecular Weight511.96 g/mol
Exact Mass511.14
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1OC
InChIInChI=1S/C27H26ClNO7/c1-33-18-9-8-14(11-19(18)34-2)23-22(25(31)27(32)29(23)17-6-4-5-7-17)24(30)20-12-15-10-16(28)13-21(35-3)26(15)36-20/h8-13,17,23,31H,4-7H2,1-3H3
InChIKeyUUGIFTIBSFAWTM-UHFFFAOYSA-N
XLogP5.63
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.96
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108650062
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108614562
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652585
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108701166
[5-[3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenyl] acetate
CID 108696900
1-cyclopentyl-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108580383
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108703736
1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586440
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108641603
1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631117
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108612875
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108583229

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108580378) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1OC.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is UUGIFTIBSFAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClNO7/c1-33-18-9-8-14(11-19(18)34-2)23-22(25(31)27(32)29(23)17-6-4-5-7-17)24(30)20-12-15-10-16(28)13-21(35-3)26(15)36-20/h8-13,17,23,31H,4-7H2,1-3H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 511.96 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108580378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).