3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one

C22H15F2NO2 — CID 162410824

IUPAC3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
SMILESO=C1NC(c2ccccc2)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15F2NO2/c23-22(24,19(26)15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)18-14-8-7-13-17(18)20(27)25-21/h1-14H,(H,25,27)
InChIKeyUJWJQAAESKKFMR-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.19
Rot. Bonds4

About 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one

3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one (PubChem CID 162410824) has the molecular formula C22H15F2NO2 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one.

Molecular Properties

Compound Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
PubChem CID162410824
Molecular FormulaC22H15F2NO2
Molecular Weight363.36 g/mol
Exact Mass363.11
IUPAC Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
SMILESO=C1NC(c2ccccc2)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15F2NO2/c23-22(24,19(26)15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)18-14-8-7-13-17(18)20(27)25-21/h1-14H,(H,25,27)
InChIKeyUJWJQAAESKKFMR-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(4-chlorophenyl)-1,1-difluoro-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410839
4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
CID 135028525
N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
CID 95561425
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc
CID 45050017
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
CID 165354617
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2H-isoindol-1-one
CID 70289948
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one?
The IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one (CID 162410824) is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one.
What is the SMILES notation for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one?
The canonical SMILES for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one is O=C1NC(c2ccccc2)(C(F)(F)C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one?
The InChIKey is UJWJQAAESKKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO2/c23-22(24,19(26)15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)18-14-8-7-13-17(18)20(27)25-21/h1-14H,(H,25,27).
What are the key properties of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one?
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one has a molecular weight of 363.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one is sourced from PubChem (CID 162410824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).