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

C24H14Cl2N2O5 — CID 108592004

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1cccnc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H14Cl2N2O5/c25-14-4-6-18-13(8-14)9-19(33-18)22(30)20-21(12-2-1-7-27-11-12)28(24(32)23(20)31)16-10-15(26)3-5-17(16)29/h1-11,21,29,31H
InChIKeyLBOUJOYZGDDQRU-UHFFFAOYSA-N
MW481.29 g/mol
LogP5.62
Rot. Bonds4

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

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108592004) has the molecular formula C24H14Cl2N2O5 and a molecular weight of 481.29 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108592004
Molecular FormulaC24H14Cl2N2O5
Molecular Weight481.29 g/mol
Exact Mass480.03
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1cccnc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C24H14Cl2N2O5/c25-14-4-6-18-13(8-14)9-19(33-18)22(30)20-21(12-2-1-7-27-11-12)28(24(32)23(20)31)16-10-15(26)3-5-17(16)29/h1-11,21,29,31H
InChIKeyLBOUJOYZGDDQRU-UHFFFAOYSA-N
XLogP5.62
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.29
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591483
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775
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-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108724022
3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591875
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584704
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631712
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629346
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108600351
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639768
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673440
3-(1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588137

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108592004) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)C1c1cccnc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is LBOUJOYZGDDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O5/c25-14-4-6-18-13(8-14)9-19(33-18)22(30)20-21(12-2-1-7-27-11-12)28(24(32)23(20)31)16-10-15(26)3-5-17(16)29/h1-11,21,29,31H.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 481.29 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).