N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide

C22H18F3N3O4 — CID 90734875

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCC(n2cc3cc(CNC(=O)c4ccc(C(F)(F)F)cc4)ccc3c2O)C(=O)N1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)15-4-2-13(3-5-15)19(30)26-10-12-1-6-16-14(9-12)11-28(21(16)32)17-7-8-18(29)27-20(17)31/h1-6,9,11,17,32H,7-8,10H2,(H,26,30)(H,27,29,31)
InChIKeyCJOALPVSAVJUJA-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.27
Rot. Bonds4

About N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 90734875) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID90734875
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCC(n2cc3cc(CNC(=O)c4ccc(C(F)(F)F)cc4)ccc3c2O)C(=O)N1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)15-4-2-13(3-5-15)19(30)26-10-12-1-6-16-14(9-12)11-28(21(16)32)17-7-8-18(29)27-20(17)31/h1-6,9,11,17,32H,7-8,10H2,(H,26,30)(H,27,29,31)
InChIKeyCJOALPVSAVJUJA-UHFFFAOYSA-N
XLogP3.27
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(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-(4-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1297210
3-Fluoro-3-(1-hydroxyisoindol-2-yl)piperidine-2,6-dione
CID 53935595
2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
CID 68775339
1-[[2-(2,6-Dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 90692294
N-[3-(2-butylpiperidin-1-yl)propyl]-2-[(3-fluorophenyl)methyl]-3-hydroxyisoindole-5-carboxamide
CID 90702016
N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 90730915
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90742024
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90780342
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90790489
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90791387

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide (CID 90734875) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide is O=C1CCC(n2cc3cc(CNC(=O)c4ccc(C(F)(F)F)cc4)ccc3c2O)C(=O)N1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CJOALPVSAVJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c23-22(24,25)15-4-2-13(3-5-15)19(30)26-10-12-1-6-16-14(9-12)11-28(21(16)32)17-7-8-18(29)27-20(17)31/h1-6,9,11,17,32H,7-8,10H2,(H,26,30)(H,27,29,31).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 445.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90734875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).