5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide

C28H22F3N3O5 — CID 71026807

About 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide

5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 71026807) has the molecular formula C28H22F3N3O5 and a molecular weight of 537.49 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide
• PubChem CID: 71026807
• Molecular Formula: C28H22F3N3O5
• Molecular Weight: 537.49 g/mol
• Exact Mass: 537.15
• IUPAC Name: 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide
• SMILES: CC(CO)(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccc3c(c2)C(=O)NC3=O)ccc1OC(F)(F)F
• InChI: InChI=1S/C28H22F3N3O5/c1-27(14-35,12-17-13-32-22-5-3-2-4-18(17)22)34-26(38)21-11-16(7-9-23(21)39-28(29,30)31)15-6-8-19-20(10-15)25(37)33-24(19)36/h2-11,13,32,35H,12,14H2,1H3,(H,34,38)(H,33,36,37)
• InChIKey: XRPRBXVNLXCGNF-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 120.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.49
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	4
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 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide?

The IUPAC name of 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide (CID 71026807) is 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide.

What is the SMILES notation for 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide?

The canonical SMILES for 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide is CC(CO)(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccc3c(c2)C(=O)NC3=O)ccc1OC(F)(F)F.

What is the InChIKey of 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide?

The InChIKey is XRPRBXVNLXCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N3O5/c1-27(14-35,12-17-13-32-22-5-3-2-4-18(17)22)34-26(38)21-11-16(7-9-23(21)39-28(29,30)31)15-6-8-19-20(10-15)25(37)33-24(19)36/h2-11,13,32,35H,12,14H2,1H3,(H,34,38)(H,33,36,37).

What are the key properties of 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide?

5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 537.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-dioxoisoindol-5-yl)-N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71026807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).