1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one

C22H16FNO5 — CID 58044929

IUPAC1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FNO5/c1-28-16-6-3-2-5-15(16)19-18(20(25)17-7-4-12-29-17)21(26)22(27)24(19)14-10-8-13(23)9-11-14/h2-12,19,26H,1H3
InChIKeyYKTARKVPRNCLQL-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.21
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 58044929) has the molecular formula C22H16FNO5 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID58044929
Molecular FormulaC22H16FNO5
Molecular Weight393.37 g/mol
Exact Mass393.10
IUPAC Name1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FNO5/c1-28-16-6-3-2-5-15(16)19-18(20(25)17-7-4-12-29-17)21(26)22(27)24(19)14-10-8-13(23)9-11-14/h2-12,19,26H,1H3
InChIKeyYKTARKVPRNCLQL-UHFFFAOYSA-N
XLogP4.21
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 22937595
1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
CID 22937787
3-(2,2-dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-2H-pyrrol-5-one
CID 58366053
3-acetyl-2-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2889320
4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918125
5-(2-Fluoro-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(tetrahydro-furan-2-ylmethyl)-1,5-dihydro-pyrrol-2-one
CID 3152547
5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2907794
5-[4-(dimethylamino)phenyl]-1-(2-furylmethyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4532582
1-benzyl-5-(3-ethoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4611776
4-(2,2-Dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 91808243
4-(2,2-Dimethylpropanoyl)-1-[4-(furan-3-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]pyrrolidine-2,3-dione
CID 91808301

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (CID 58044929) is 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is YKTARKVPRNCLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5/c1-28-16-6-3-2-5-15(16)19-18(20(25)17-7-4-12-29-17)21(26)22(27)24(19)14-10-8-13(23)9-11-14/h2-12,19,26H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 393.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58044929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).