3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide

C25H18F4N2O3 — CID 166822733

IUPAC3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccccc1C1COC1)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H18F4N2O3/c26-16-9-13(8-15(10-16)25(27,28)29)23(32)30-20-7-3-6-19-21(20)22(31-24(19)33)18-5-2-1-4-17(18)14-11-34-12-14/h1-10,14,22H,11-12H2,(H,30,32)(H,31,33)
InChIKeyXOTCBDSZIZAXPR-UHFFFAOYSA-N
MW470.42 g/mol
LogP5.04
Rot. Bonds4

About 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide (PubChem CID 166822733) has the molecular formula C25H18F4N2O3 and a molecular weight of 470.42 g/mol. Its IUPAC name is 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
PubChem CID166822733
Molecular FormulaC25H18F4N2O3
Molecular Weight470.42 g/mol
Exact Mass470.13
IUPAC Name3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccccc1C1COC1)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H18F4N2O3/c26-16-9-13(8-15(10-16)25(27,28)29)23(32)30-20-7-3-6-19-21(20)22(31-24(19)33)18-5-2-1-4-17(18)14-11-34-12-14/h1-10,14,22H,11-12H2,(H,30,32)(H,31,33)
InChIKeyXOTCBDSZIZAXPR-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide 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

N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
CID 44250343
(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 166821975
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methyl-5-(1-(2,2,3,3,3-pentafluoropropyl)-2'',3'',5'',6''-tetrahydrospiro[dihydroindole-3,4''-pyran]-6-yl)benzamide
CID 155147152
US12581252, Example I-156
CID 166821542
US12581252, Example I-371
CID 166821555
US12581252, Example I-65
CID 166821559
US12581252, Example I-66
CID 166821561
US12581252, Example I-327
CID 166821564
US12581252, Example I-112
CID 166821565
US12581252, Example I-369
CID 166821570
US12581252, Example I-536
CID 166821630
US12581252, Example I-659
CID 166821646

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide (CID 166822733) is 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2c1C(c1ccccc1C1COC1)NC2=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is XOTCBDSZIZAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O3/c26-16-9-13(8-15(10-16)25(27,28)29)23(32)30-20-7-3-6-19-21(20)22(31-24(19)33)18-5-2-1-4-17(18)14-11-34-12-14/h1-10,14,22H,11-12H2,(H,30,32)(H,31,33).
What are the key properties of 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 470.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[2-(oxetan-3-yl)phenyl]-1-oxo-2,3-dihydroisoindol-4-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166822733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).