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

C27H26ClNO5 — CID 108650062

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C27H26ClNO5/c1-3-15-8-10-16(11-9-15)23-22(25(31)27(32)29(23)19-6-4-5-7-19)24(30)20-13-17-12-18(28)14-21(33-2)26(17)34-20/h8-14,19,23,31H,3-7H2,1-2H3
InChIKeyJUZGMDAMLHOHKK-UHFFFAOYSA-N
MW479.96 g/mol
LogP6.18
Rot. Bonds6

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

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108650062) has the molecular formula C27H26ClNO5 and a molecular weight of 479.96 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108650062
Molecular FormulaC27H26ClNO5
Molecular Weight479.96 g/mol
Exact Mass479.15
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C27H26ClNO5/c1-3-15-8-10-16(11-9-15)23-22(25(31)27(32)29(23)19-6-4-5-7-19)24(30)20-13-17-12-18(28)14-21(33-2)26(17)34-20/h8-14,19,23,31H,3-7H2,1-2H3
InChIKeyJUZGMDAMLHOHKK-UHFFFAOYSA-N
XLogP6.18
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108580378
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-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108682897
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108641603
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649440
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-(4-ethylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108579002
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)-4-hydroxy-2-(4-propan-2-ylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108644002
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108583229
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 108600645

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108650062) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is JUZGMDAMLHOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClNO5/c1-3-15-8-10-16(11-9-15)23-22(25(31)27(32)29(23)19-6-4-5-7-19)24(30)20-13-17-12-18(28)14-21(33-2)26(17)34-20/h8-14,19,23,31H,3-7H2,1-2H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 479.96 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108650062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).