3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

C25H14ClF3N2O5 — CID 108673785

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C25H14ClF3N2O5/c26-15-1-6-18-14(11-15)12-19(35-18)22(32)20-21(13-7-9-30-10-8-13)31(24(34)23(20)33)16-2-4-17(5-3-16)36-25(27,28)29/h1-12,21,33H
InChIKeyLQTUCJDMQJQQJC-UHFFFAOYSA-N
MW514.84 g/mol
LogP6.16
Rot. Bonds5

About 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 108673785) has the molecular formula C25H14ClF3N2O5 and a molecular weight of 514.84 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID108673785
Molecular FormulaC25H14ClF3N2O5
Molecular Weight514.84 g/mol
Exact Mass514.05
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C25H14ClF3N2O5/c26-15-1-6-18-14(11-15)12-19(35-18)22(32)20-21(13-7-9-30-10-8-13)31(24(34)23(20)33)16-2-4-17(5-3-16)36-25(27,28)29/h1-12,21,33H
InChIKeyLQTUCJDMQJQQJC-UHFFFAOYSA-N
XLogP6.16
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108708067
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108713186
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632306
[4-[3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108687667
1-(4-tert-butylphenyl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108720490
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679255
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679342
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593050
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)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634619
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108698765

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 108673785) is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)C1c1ccncc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is LQTUCJDMQJQQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClF3N2O5/c26-15-1-6-18-14(11-15)12-19(35-18)22(32)20-21(13-7-9-30-10-8-13)31(24(34)23(20)33)16-2-4-17(5-3-16)36-25(27,28)29/h1-12,21,33H.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 514.84 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108673785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).