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

C23H20FNO6 — CID 4866250

IUPAC2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccccc1F
InChIInChI=1S/C23H20FNO6/c1-29-11-10-25-19(14-7-3-4-8-15(14)24)18(21(27)23(25)28)20(26)17-12-13-6-5-9-16(30-2)22(13)31-17/h3-9,12,19,27H,10-11H2,1-2H3
InChIKeyMTDWWPCQXGXXOY-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.81
Rot. Bonds7

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

2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one (PubChem CID 4866250) has the molecular formula C23H20FNO6 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
PubChem CID4866250
Molecular FormulaC23H20FNO6
Molecular Weight425.41 g/mol
Exact Mass425.13
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccccc1F
InChIInChI=1S/C23H20FNO6/c1-29-11-10-25-19(14-7-3-4-8-15(14)24)18(21(27)23(25)28)20(26)17-12-13-6-5-9-16(30-2)22(13)31-17/h3-9,12,19,27H,10-11H2,1-2H3
InChIKeyMTDWWPCQXGXXOY-UHFFFAOYSA-N
XLogP3.81
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108580536
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108614238
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108645348
2-(3-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2949573
1-butyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652149
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645024
2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 4866278
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3280950
2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866241
2-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 4866268
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108650497
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4730179

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one (CID 4866250) is 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The InChIKey is MTDWWPCQXGXXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO6/c1-29-11-10-25-19(14-7-3-4-8-15(14)24)18(21(27)23(25)28)20(26)17-12-13-6-5-9-16(30-2)22(13)31-17/h3-9,12,19,27H,10-11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one has a molecular weight of 425.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4866250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).