3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

C25H22FNO4 — CID 108643046

IUPAC3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C25H22FNO4/c26-17-12-10-15(11-13-17)22-21(23(28)20-14-16-6-4-5-9-19(16)31-20)24(29)25(30)27(22)18-7-2-1-3-8-18/h4-6,9-14,18,22,29H,1-3,7-8H2
InChIKeyCIXVDWSLKYYSAV-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.48
Rot. Bonds4

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

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108643046) has the molecular formula C25H22FNO4 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108643046
Molecular FormulaC25H22FNO4
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C25H22FNO4/c26-17-12-10-15(11-13-17)22-21(23(28)20-14-16-6-4-5-9-19(16)31-20)24(29)25(30)27(22)18-7-2-1-3-8-18/h4-6,9-14,18,22,29H,1-3,7-8H2
InChIKeyCIXVDWSLKYYSAV-UHFFFAOYSA-N
XLogP5.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649440
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 108581630
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108604454
1-cyclopentyl-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643602
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
CID 108641778
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634619
2-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7008919
3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3493234
3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108616366
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108620483
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108599998
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108616714

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108643046) is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCCCC2)C1c1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is CIXVDWSLKYYSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO4/c26-17-12-10-15(11-13-17)22-21(23(28)20-14-16-6-4-5-9-19(16)31-20)24(29)25(30)27(22)18-7-2-1-3-8-18/h4-6,9-14,18,22,29H,1-3,7-8H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 419.45 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108643046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).