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

C23H20F3N3O4 — CID 91096087

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)16-4-1-13(2-5-16)10-20(31)27-11-14-3-6-17-15(9-14)12-29(22(17)33)18-7-8-19(30)28-21(18)32/h1-6,9,12,18,33H,7-8,10-11H2,(H,27,31)(H,28,30,32)
InChIKeyKXKXWUJSQQASKI-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.20
Rot. Bonds5

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

N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 91096087) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID91096087
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)16-4-1-13(2-5-16)10-20(31)27-11-14-3-6-17-15(9-14)12-29(22(17)33)18-7-8-19(30)28-21(18)32/h1-6,9,12,18,33H,7-8,10-11H2,(H,27,31)(H,28,30,32)
InChIKeyKXKXWUJSQQASKI-UHFFFAOYSA-N
XLogP3.20
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.20
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]-2-[4-(trifluoromethyl)phenyl]acetamide 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-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 91096087) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KXKXWUJSQQASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c24-23(25,26)16-4-1-13(2-5-16)10-20(31)27-11-14-3-6-17-15(9-14)12-29(22(17)33)18-7-8-19(30)28-21(18)32/h1-6,9,12,18,33H,7-8,10-11H2,(H,27,31)(H,28,30,32).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.42 g/mol, XLogP of 3.20, 5 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]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91096087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).