4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione

C17H12F3NO2 — CID 129087168

IUPAC4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3NO2/c1-9-6-7-11(8-13(9)17(18,19)20)21-15(22)12-5-3-4-10(2)14(12)16(21)23/h3-8H,1-2H3
InChIKeyYCIVFPLYGBCILQ-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.12
Rot. Bonds1

About 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione

4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 129087168) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID129087168
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3NO2/c1-9-6-7-11(8-13(9)17(18,19)20)21-15(22)12-5-3-4-10(2)14(12)16(21)23/h3-8H,1-2H3
InChIKeyYCIVFPLYGBCILQ-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
4-(4-methyl-1,3-dioxoisoindol-2-yl)benzonitrile
CID 25113145
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516160
2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
CID 53392519
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
4-methyl-2-[4-phenyl-3-[(2-phenylethylamino)methyl]phenyl]isoindole-1,3-dione
CID 139959049
2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
CID 1307065
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521
2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
CID 18524298
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 129087168) is 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is Cc1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is YCIVFPLYGBCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-9-6-7-11(8-13(9)17(18,19)20)21-15(22)12-5-3-4-10(2)14(12)16(21)23/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 319.28 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 129087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).