(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide

C25H23F3N4O5 — CID 175968724

About (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide

(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 175968724) has the molecular formula C25H23F3N4O5 and a molecular weight of 516.48 g/mol. Its IUPAC name is (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide
• PubChem CID: 175968724
• Molecular Formula: C25H23F3N4O5
• Molecular Weight: 516.48 g/mol
• Exact Mass: 516.16
• IUPAC Name: (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide
• SMILES: O=C1CCC(N2Cc3cc(NC(=O)N4c5ccccc5C[C@H]4COCC(F)(F)F)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H23F3N4O5/c26-25(27,28)13-37-12-17-10-14-3-1-2-4-19(14)32(17)24(36)29-16-5-6-18-15(9-16)11-31(23(18)35)20-7-8-21(33)30-22(20)34/h1-6,9,17,20H,7-8,10-13H2,(H,29,36)(H,30,33,34)/t17-,20?/m0/s1
• InChIKey: GOBBATXZZSDGNI-DIMJTDRSSA-N
• XLogP: 2.99
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
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 (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide?

The IUPAC name of (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide (CID 175968724) is (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide is O=C1CCC(N2Cc3cc(NC(=O)N4c5ccccc5C[C@H]4COCC(F)(F)F)ccc3C2=O)C(=O)N1.

What is the InChIKey of (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide?

The InChIKey is GOBBATXZZSDGNI-DIMJTDRSSA-N. The full InChI is InChI=1S/C25H23F3N4O5/c26-25(27,28)13-37-12-17-10-14-3-1-2-4-19(14)32(17)24(36)29-16-5-6-18-15(9-16)11-31(23(18)35)20-7-8-21(33)30-22(20)34/h1-6,9,17,20H,7-8,10-13H2,(H,29,36)(H,30,33,34)/t17-,20?/m0/s1.

What are the key properties of (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide?

(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 516.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 175968724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).