2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide

C11H10F2N2O2 — CID 118649418

IUPAC2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
SMILESCC(F)(F)C(=O)Nc1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H10F2N2O2/c1-11(12,13)10(17)15-7-2-3-8-6(4-7)5-14-9(8)16/h2-4H,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyVSNKPCTUVJANAO-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.52
Rot. Bonds2

About 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide

2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide (PubChem CID 118649418) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
PubChem CID118649418
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
SMILESCC(F)(F)C(=O)Nc1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H10F2N2O2/c1-11(12,13)10(17)15-7-2-3-8-6(4-7)5-14-9(8)16/h2-4H,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyVSNKPCTUVJANAO-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide 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-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide (CID 118649418) is 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide is CC(F)(F)C(=O)Nc1ccc2c(c1)CNC2=O.
What is the InChIKey of 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is VSNKPCTUVJANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-11(12,13)10(17)15-7-2-3-8-6(4-7)5-14-9(8)16/h2-4H,5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 240.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 118649418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).