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

C22H22FNO4 — CID 108578726

IUPAC1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H22FNO4/c1-13(2)12-17(25)19-20(16-6-4-5-7-18(16)28-3)24(22(27)21(19)26)15-10-8-14(23)9-11-15/h4-11,13,20,26H,12H2,1-3H3
InChIKeyRJOJFLWLYFNHHV-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.35
Rot. Bonds6

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

1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 108578726) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID108578726
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H22FNO4/c1-13(2)12-17(25)19-20(16-6-4-5-7-18(16)28-3)24(22(27)21(19)26)15-10-8-14(23)9-11-15/h4-11,13,20,26H,12H2,1-3H3
InChIKeyRJOJFLWLYFNHHV-UHFFFAOYSA-N
XLogP4.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108667858
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108579072
1,2-bis(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108642175
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645008
1-(4-ethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108600973
1-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108628981
1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108578641
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one
CID 58366028
4-hydroxy-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702279
3-acetyl-2-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2889320

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 108578726) is 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is RJOJFLWLYFNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-13(2)12-17(25)19-20(16-6-4-5-7-18(16)28-3)24(22(27)21(19)26)15-10-8-14(23)9-11-15/h4-11,13,20,26H,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 383.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).