3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

C20H16F3NO4 — CID 110583268

IUPAC3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C20H16F3NO4/c1-2-28-15-8-6-13(7-9-15)16-17(25)19(27)24(18(16)26)11-12-4-3-5-14(10-12)20(21,22)23/h3-10,25H,2,11H2,1H3
InChIKeyRYVOMCIEJBELKX-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.94
Rot. Bonds5

About 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (PubChem CID 110583268) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
PubChem CID110583268
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Name3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C20H16F3NO4/c1-2-28-15-8-6-13(7-9-15)16-17(25)19(27)24(18(16)26)11-12-4-3-5-14(10-12)20(21,22)23/h3-10,25H,2,11H2,1H3
InChIKeyRYVOMCIEJBELKX-UHFFFAOYSA-N
XLogP3.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110581418
N-[4-[4-hydroxy-2,5-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]phenyl]acetamide
CID 110581286
3-ethylsulfanyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110558412
1-benzyl-3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110592786
3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110542915
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
(4-ethoxyphenyl) [3-(trifluoromethyl)phenyl]methanesulfonate
CID 52883540
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
3-hydroxy-4-[4-(2-methylpropoxy)phenyl]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110584719
1-benzyl-3-(4-ethoxyphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110546496
1-(3,4-diethoxyphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583377

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (CID 110583268) is 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is CCOc1ccc(C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The InChIKey is RYVOMCIEJBELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c1-2-28-15-8-6-13(7-9-15)16-17(25)19(27)24(18(16)26)11-12-4-3-5-14(10-12)20(21,22)23/h3-10,25H,2,11H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione has a molecular weight of 391.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).