4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

C20H18F3NO4 — CID 108696358

IUPAC4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1c1ccc(C)o1
InChIInChI=1S/C20H18F3NO4/c1-3-14(25)16-17(15-8-7-11(2)28-15)24(19(27)18(16)26)10-12-5-4-6-13(9-12)20(21,22)23/h4-9,17,26H,3,10H2,1-2H3
InChIKeyWKUQUIUNGIPYDZ-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.48
Rot. Bonds5

About 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (PubChem CID 108696358) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
PubChem CID108696358
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1c1ccc(C)o1
InChIInChI=1S/C20H18F3NO4/c1-3-14(25)16-17(15-8-7-11(2)28-15)24(19(27)18(16)26)10-12-5-4-6-13(9-12)20(21,22)23/h4-9,17,26H,3,10H2,1-2H3
InChIKeyWKUQUIUNGIPYDZ-UHFFFAOYSA-N
XLogP4.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108696334
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108660074
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
(4Z)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,3-dione
CID 108696309
(4Z)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,3-dione
CID 108696313
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,3-dione
CID 108696327
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692960
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,3-dione
CID 108696328
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108658269
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,3-dione
CID 108696386
4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692452
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108694543

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (CID 108696358) is 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1c1ccc(C)o1.
What is the InChIKey of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The InChIKey is WKUQUIUNGIPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c1-3-14(25)16-17(15-8-7-11(2)28-15)24(19(27)18(16)26)10-12-5-4-6-13(9-12)20(21,22)23/h4-9,17,26H,3,10H2,1-2H3.
What are the key properties of 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one has a molecular weight of 393.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108696358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).