2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

C23H18Cl2N6O4 — CID 167925578

About 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 167925578) has the molecular formula C23H18Cl2N6O4 and a molecular weight of 513.34 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
• PubChem CID: 167925578
• Molecular Formula: C23H18Cl2N6O4
• Molecular Weight: 513.34 g/mol
• Exact Mass: 512.08
• IUPAC Name: 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
• SMILES: O=C1CCC(N2Cc3c(NC(=O)Cn4cc(-c5ccc(Cl)cc5Cl)nn4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C23H18Cl2N6O4/c24-12-4-5-14(16(25)8-12)18-10-30(29-28-18)11-21(33)26-17-3-1-2-13-15(17)9-31(23(13)35)19-6-7-20(32)27-22(19)34/h1-5,8,10,19H,6-7,9,11H2,(H,26,33)(H,27,32,34)
• InChIKey: YFJPOWIXVIJYTR-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.34
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The IUPAC name of 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (CID 167925578) is 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The canonical SMILES for 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is O=C1CCC(N2Cc3c(NC(=O)Cn4cc(-c5ccc(Cl)cc5Cl)nn4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The InChIKey is YFJPOWIXVIJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O4/c24-12-4-5-14(16(25)8-12)18-10-30(29-28-18)11-21(33)26-17-3-1-2-13-15(17)9-31(23(13)35)19-6-7-20(32)27-22(19)34/h1-5,8,10,19H,6-7,9,11H2,(H,26,33)(H,27,32,34).

What are the key properties of 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide has a molecular weight of 513.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 167925578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).