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

C22H16F3N3O6 — CID 24788913

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H16F3N3O6/c23-22(24,25)34-13-4-2-12(3-5-13)18(30)26-10-11-1-6-14-15(9-11)21(33)28(20(14)32)16-7-8-17(29)27-19(16)31/h1-6,9,16H,7-8,10H2,(H,26,30)(H,27,29,31)
InChIKeyJFBUADCBCGPBTM-UHFFFAOYSA-N
MW475.38 g/mol
LogP1.92
Rot. Bonds5

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

N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 24788913) has the molecular formula C22H16F3N3O6 and a molecular weight of 475.38 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID24788913
Molecular FormulaC22H16F3N3O6
Molecular Weight475.38 g/mol
Exact Mass475.10
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H16F3N3O6/c23-22(24,25)34-13-4-2-12(3-5-13)18(30)26-10-11-1-6-14-15(9-11)21(33)28(20(14)32)16-7-8-17(29)27-19(16)31/h1-6,9,16H,7-8,10H2,(H,26,30)(H,27,29,31)
InChIKeyJFBUADCBCGPBTM-UHFFFAOYSA-N
XLogP1.92
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide 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 N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 24788913) is N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is JFBUADCBCGPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O6/c23-22(24,25)34-13-4-2-12(3-5-13)18(30)26-10-11-1-6-14-15(9-11)21(33)28(20(14)32)16-7-8-17(29)27-19(16)31/h1-6,9,16H,7-8,10H2,(H,26,30)(H,27,29,31).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 475.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 24788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).