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

C26H24ClNO5 — CID 108652585

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)C3c3ccccc3C)oc12
InChIInChI=1S/C26H24ClNO5/c1-14-7-3-6-10-18(14)22-21(24(30)26(31)28(22)17-8-4-5-9-17)23(29)19-12-15-11-16(27)13-20(32-2)25(15)33-19/h3,6-7,10-13,17,22,30H,4-5,8-9H2,1-2H3
InChIKeyAGCFHGKQZLIRMW-UHFFFAOYSA-N
MW465.93 g/mol
LogP5.92
Rot. Bonds5

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

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108652585) has the molecular formula C26H24ClNO5 and a molecular weight of 465.93 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
PubChem CID108652585
Molecular FormulaC26H24ClNO5
Molecular Weight465.93 g/mol
Exact Mass465.13
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)C3c3ccccc3C)oc12
InChIInChI=1S/C26H24ClNO5/c1-14-7-3-6-10-18(14)22-21(24(30)26(31)28(22)17-8-4-5-9-17)23(29)19-12-15-11-16(27)13-20(32-2)25(15)33-19/h3,6-7,10-13,17,22,30H,4-5,8-9H2,1-2H3
InChIKeyAGCFHGKQZLIRMW-UHFFFAOYSA-N
XLogP5.92
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.93
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108650062
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)-4-hydroxy-2-(2-methylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108652237
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108650497
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639336
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108604497
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677440
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)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108640992

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (CID 108652585) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)C3c3ccccc3C)oc12.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is AGCFHGKQZLIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO5/c1-14-7-3-6-10-18(14)22-21(24(30)26(31)28(22)17-8-4-5-9-17)23(29)19-12-15-11-16(27)13-20(32-2)25(15)33-19/h3,6-7,10-13,17,22,30H,4-5,8-9H2,1-2H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 465.93 g/mol, XLogP of 5.92, 5 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-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108652585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).