1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C25H17ClFNO6 — CID 108609361

IUPAC1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(Cl)c4)C3c3ccc(C)o3)oc12
InChIInChI=1S/C25H17ClFNO6/c1-12-6-9-17(33-12)21-20(22(29)19-10-13-4-3-5-18(32-2)24(13)34-19)23(30)25(31)28(21)14-7-8-16(27)15(26)11-14/h3-11,21,30H,1-2H3
InChIKeyTVEJGFPKZQOUKD-UHFFFAOYSA-N
MW481.86 g/mol
LogP5.92
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 108609361) has the molecular formula C25H17ClFNO6 and a molecular weight of 481.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
PubChem CID108609361
Molecular FormulaC25H17ClFNO6
Molecular Weight481.86 g/mol
Exact Mass481.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(Cl)c4)C3c3ccc(C)o3)oc12
InChIInChI=1S/C25H17ClFNO6/c1-12-6-9-17(33-12)21-20(22(29)19-10-13-4-3-5-18(32-2)24(13)34-19)23(30)25(31)28(21)14-7-8-16(27)15(26)11-14/h3-11,21,30H,1-2H3
InChIKeyTVEJGFPKZQOUKD-UHFFFAOYSA-N
XLogP5.92
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.86
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-difluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659767
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(4-piperidin-1-ylphenyl)-2H-pyrrol-5-one
CID 108686021
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108658289
1-(3-chloro-4-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108655186
1-(3,4-difluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584183
1-(3,4-dichlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108669091
1-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633351
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609622
1-(3-chloro-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108687152
1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108638141
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645024
1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108618657

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 108609361) is 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(Cl)c4)C3c3ccc(C)o3)oc12.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
The InChIKey is TVEJGFPKZQOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFNO6/c1-12-6-9-17(33-12)21-20(22(29)19-10-13-4-3-5-18(32-2)24(13)34-19)23(30)25(31)28(21)14-7-8-16(27)15(26)11-14/h3-11,21,30H,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?
1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 481.86 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108609361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).