3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione

C20H15F3N2O4 — CID 162371434

IUPAC3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C(O)C(C2(c3ccc(C(F)(F)F)cc3)Nc3ccccc3C2=O)C1=O
InChIInChI=1S/C20H15F3N2O4/c1-25-17(28)14(15(26)18(25)29)19(10-6-8-11(9-7-10)20(21,22)23)16(27)12-4-2-3-5-13(12)24-19/h2-9,14-15,24,26H,1H3
InChIKeyKYWUNRNHZYBOTN-UHFFFAOYSA-N
MW404.34 g/mol
LogP2.18
Rot. Bonds2

About 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione

3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione (PubChem CID 162371434) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione
PubChem CID162371434
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Name3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C(O)C(C2(c3ccc(C(F)(F)F)cc3)Nc3ccccc3C2=O)C1=O
InChIInChI=1S/C20H15F3N2O4/c1-25-17(28)14(15(26)18(25)29)19(10-6-8-11(9-7-10)20(21,22)23)16(27)12-4-2-3-5-13(12)24-19/h2-9,14-15,24,26H,1H3
InChIKeyKYWUNRNHZYBOTN-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione 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

(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
CID 175172136
3-(7-chloro-3-oxo-2-phenyl-1H-indol-2-yl)-4-hydroxy-1-methylpyrrolidine-2,5-dione
CID 162371410
(2S,3R)-2,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]-2H-naphthalene-1,4-dione
CID 170010040
4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 139526306
2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745066
3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 2741734
(3E)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 22302892
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
3-methyl-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 58725221
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
methyl (1R,3aS,6aR)-5-(4-methoxyphenyl)-4,6-dioxo-3,3-bis[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CID 126196305

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione (CID 162371434) is 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione is CN1C(=O)C(O)C(C2(c3ccc(C(F)(F)F)cc3)Nc3ccccc3C2=O)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione?
The InChIKey is KYWUNRNHZYBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-25-17(28)14(15(26)18(25)29)19(10-6-8-11(9-7-10)20(21,22)23)16(27)12-4-2-3-5-13(12)24-19/h2-9,14-15,24,26H,1H3.
What are the key properties of 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione?
3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione has a molecular weight of 404.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-4-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-indol-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 162371434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).