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

C24H16FNO5 — CID 108657121

IUPAC3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C24H16FNO5/c25-16-9-7-14(8-10-16)13-26-21(18-6-3-11-30-18)20(23(28)24(26)29)22(27)19-12-15-4-1-2-5-17(15)31-19/h1-12,21,28H,13H2
InChIKeyNQAVTIDSPJCOLX-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.94
Rot. Bonds5

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

3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108657121) has the molecular formula C24H16FNO5 and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108657121
Molecular FormulaC24H16FNO5
Molecular Weight417.39 g/mol
Exact Mass417.10
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C24H16FNO5/c25-16-9-7-14(8-10-16)13-26-21(18-6-3-11-30-18)20(23(28)24(26)29)22(27)19-12-15-4-1-2-5-17(15)31-19/h1-12,21,28H,13H2
InChIKeyNQAVTIDSPJCOLX-UHFFFAOYSA-N
XLogP4.94
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839
3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608274
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108656085
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108657145
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108656950
3-(1-benzofuran-2-carbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 3305715
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108657171
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108653620
1-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657469
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[(3-ethoxyphenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608577
3-(1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594310

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108657121) is 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is NQAVTIDSPJCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO5/c25-16-9-7-14(8-10-16)13-26-21(18-6-3-11-30-18)20(23(28)24(26)29)22(27)19-12-15-4-1-2-5-17(15)31-19/h1-12,21,28H,13H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 417.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108657121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).