3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

C26H19ClN2O4 — CID 108626045

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccccn2)c1
InChIInChI=1S/C26H19ClN2O4/c1-14-6-7-15(2)19(11-14)29-23(18-5-3-4-10-28-18)22(25(31)26(29)32)24(30)21-13-16-12-17(27)8-9-20(16)33-21/h3-13,23,31H,1-2H3
InChIKeyVJJUGQFMEAMFRF-UHFFFAOYSA-N
MW458.90 g/mol
LogP5.88
Rot. Bonds4

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108626045) has the molecular formula C26H19ClN2O4 and a molecular weight of 458.90 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108626045
Molecular FormulaC26H19ClN2O4
Molecular Weight458.90 g/mol
Exact Mass458.10
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccccn2)c1
InChIInChI=1S/C26H19ClN2O4/c1-14-6-7-15(2)19(11-14)29-23(18-5-3-4-10-28-18)22(25(31)26(29)32)24(30)21-13-16-12-17(27)8-9-20(16)33-21/h3-13,23,31H,1-2H3
InChIKeyVJJUGQFMEAMFRF-UHFFFAOYSA-N
XLogP5.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.90
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591483
1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590613
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584704
propan-2-yl 4-[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]benzoate
CID 108672393
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,3-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626135
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625961
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723848
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108625004
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
CID 108712198
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582448
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-naphthalen-1-yl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589876

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108626045) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccccn2)c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is VJJUGQFMEAMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O4/c1-14-6-7-15(2)19(11-14)29-23(18-5-3-4-10-28-18)22(25(31)26(29)32)24(30)21-13-16-12-17(27)8-9-20(16)33-21/h3-13,23,31H,1-2H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 458.90 g/mol, XLogP of 5.88, 4 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-(2,5-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108626045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).