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

C23H13ClFNO5 — CID 108653620

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1ccco1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C23H13ClFNO5/c24-13-3-8-16-12(10-13)11-18(31-16)21(27)19-20(17-2-1-9-30-17)26(23(29)22(19)28)15-6-4-14(25)5-7-15/h1-11,20,28H
InChIKeyPVHSXTMSTSBXCX-UHFFFAOYSA-N
MW437.81 g/mol
LogP5.60
Rot. Bonds4

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

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108653620) has the molecular formula C23H13ClFNO5 and a molecular weight of 437.81 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108653620
Molecular FormulaC23H13ClFNO5
Molecular Weight437.81 g/mol
Exact Mass437.05
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1ccco1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C23H13ClFNO5/c24-13-3-8-16-12(10-13)11-18(31-16)21(27)19-20(17-2-1-9-30-17)26(23(29)22(19)28)15-6-4-14(25)5-7-15/h1-11,20,28H
InChIKeyPVHSXTMSTSBXCX-UHFFFAOYSA-N
XLogP5.60
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-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-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)-1-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679255
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108606758
4-[3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzonitrile
CID 108655536
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602951
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639768
3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657121
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659766
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632306
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108653797
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602779
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one
CID 108608229

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108653620) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1ccco1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is PVHSXTMSTSBXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClFNO5/c24-13-3-8-16-12(10-13)11-18(31-16)21(27)19-20(17-2-1-9-30-17)26(23(29)22(19)28)15-6-4-14(25)5-7-15/h1-11,20,28H.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 437.81 g/mol, XLogP of 5.60, 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-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).