N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide

C22H18ClF4N3O4 — CID 155350220

About N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide

N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide (PubChem CID 155350220) has the molecular formula C22H18ClF4N3O4 and a molecular weight of 499.85 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide
• PubChem CID: 155350220
• Molecular Formula: C22H18ClF4N3O4
• Molecular Weight: 499.85 g/mol
• Exact Mass: 499.09
• IUPAC Name: N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide
• SMILES: O=C1CCC(N2Cc3cc(C(=O)NC(c4c(F)cccc4Cl)C(F)(F)F)ccc3C2O)C(=O)N1
• InChI: InChI=1S/C22H18ClF4N3O4/c23-13-2-1-3-14(24)17(13)18(22(25,26)27)29-19(32)10-4-5-12-11(8-10)9-30(21(12)34)15-6-7-16(31)28-20(15)33/h1-5,8,15,18,21,34H,6-7,9H2,(H,29,32)(H,28,31,33)
• InChIKey: INSUIKWDERBJEK-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 98.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.85
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide?

The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide (CID 155350220) is N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide.

What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide?

The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)NC(c4c(F)cccc4Cl)C(F)(F)F)ccc3C2O)C(=O)N1.

What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide?

The InChIKey is INSUIKWDERBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF4N3O4/c23-13-2-1-3-14(24)17(13)18(22(25,26)27)29-19(32)10-4-5-12-11(8-10)9-30(21(12)34)15-6-7-16(31)28-20(15)33/h1-5,8,15,18,21,34H,6-7,9H2,(H,29,32)(H,28,31,33).

What are the key properties of N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide?

N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 499.85 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 155350220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).