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'}

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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).