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

C21H20FNO4 — CID 108578641

IUPAC1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C21H20FNO4/c1-12(2)19(24)17-18(15-9-4-5-10-16(15)27-3)23(21(26)20(17)25)14-8-6-7-13(22)11-14/h4-12,18,25H,1-3H3
InChIKeyKNRSYTFBWJJNPH-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.96
Rot. Bonds5

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

1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108578641) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108578641
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C21H20FNO4/c1-12(2)19(24)17-18(15-9-4-5-10-16(15)27-3)23(21(26)20(17)25)14-8-6-7-13(22)11-14/h4-12,18,25H,1-3H3
InChIKeyKNRSYTFBWJJNPH-UHFFFAOYSA-N
XLogP3.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108578646
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 51111378
1-(1-benzothiophen-5-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 58366130
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108578726
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677245
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-[4-(1,3-thiazol-4-yl)phenyl]-2H-pyrrol-5-one
CID 58365528
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108667167
(4E)-1-(3-fluorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108578637
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700536
4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 58365266

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108578641) is 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is KNRSYTFBWJJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-12(2)19(24)17-18(15-9-4-5-10-16(15)27-3)23(21(26)20(17)25)14-8-6-7-13(22)11-14/h4-12,18,25H,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 369.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108578641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).