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

C23H19ClF3N3O4 — CID 91164774

IUPAC2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)c(Cl)c1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H19ClF3N3O4/c24-17-8-12(2-4-16(17)23(25,26)27)9-20(32)28-10-13-1-3-15-14(7-13)11-30(22(15)34)18-5-6-19(31)29-21(18)33/h1-4,7-8,11,18,34H,5-6,9-10H2,(H,28,32)(H,29,31,33)
InChIKeyRNJZSDJQMPVBOS-UHFFFAOYSA-N
MW493.87 g/mol
LogP3.86
Rot. Bonds5

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

2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide (PubChem CID 91164774) has the molecular formula C23H19ClF3N3O4 and a molecular weight of 493.87 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
PubChem CID91164774
Molecular FormulaC23H19ClF3N3O4
Molecular Weight493.87 g/mol
Exact Mass493.10
IUPAC Name2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)c(Cl)c1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H19ClF3N3O4/c24-17-8-12(2-4-16(17)23(25,26)27)9-20(32)28-10-13-1-3-15-14(7-13)11-30(22(15)34)18-5-6-19(31)29-21(18)33/h1-4,7-8,11,18,34H,5-6,9-10H2,(H,28,32)(H,29,31,33)
InChIKeyRNJZSDJQMPVBOS-UHFFFAOYSA-N
XLogP3.86
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.87
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide?
The IUPAC name of 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide (CID 91164774) is 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide is O=C(Cc1ccc(C(F)(F)F)c(Cl)c1)NCc1ccc2c(O)n(C3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide?
The InChIKey is RNJZSDJQMPVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O4/c24-17-8-12(2-4-16(17)23(25,26)27)9-20(32)28-10-13-1-3-15-14(7-13)11-30(22(15)34)18-5-6-19(31)29-21(18)33/h1-4,7-8,11,18,34H,5-6,9-10H2,(H,28,32)(H,29,31,33).
What are the key properties of 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide?
2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide has a molecular weight of 493.87 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethyl)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide is sourced from PubChem (CID 91164774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).