2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H13F3N2O2 — CID 83208284

IUPAC2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCC2)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-16-11(19)6-17-4-8-2-1-3-10(18)9(8)5-17/h4-5H,1-3,6-7H2,(H,16,19)
InChIKeyLVAOWURGIQZIIM-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.69
Rot. Bonds3

About 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 83208284) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID83208284
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCC2)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-16-11(19)6-17-4-8-2-1-3-10(18)9(8)5-17/h4-5H,1-3,6-7H2,(H,16,19)
InChIKeyLVAOWURGIQZIIM-UHFFFAOYSA-N
XLogP1.69
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 83208284) is 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cc2c(c1)C(=O)CCC2)NCC(F)(F)F.
What is the InChIKey of 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LVAOWURGIQZIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)7-16-11(19)6-17-4-8-2-1-3-10(18)9(8)5-17/h4-5H,1-3,6-7H2,(H,16,19).
What are the key properties of 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 83208284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).