2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

C10H7F3N2O2 — CID 135257881

IUPAC2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESO=C1NCc2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-6-1-2-7-5(3-6)4-14-8(7)16/h1-3H,4H2,(H,14,16)(H,15,17)
InChIKeyKMTMWEZMBOCHHN-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.43
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (PubChem CID 135257881) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
PubChem CID135257881
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESO=C1NCc2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-6-1-2-7-5(3-6)4-14-8(7)16/h1-3H,4H2,(H,14,16)(H,15,17)
InChIKeyKMTMWEZMBOCHHN-UHFFFAOYSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)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 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (CID 135257881) is 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is O=C1NCc2cc(NC(=O)C(F)(F)F)ccc21.
What is the InChIKey of 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is KMTMWEZMBOCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-6-1-2-7-5(3-6)4-14-8(7)16/h1-3H,4H2,(H,14,16)(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 244.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 135257881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).