4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide

C₂₃H₂₃FN₄O₄ — CID 177262438

About 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide

4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (PubChem CID 177262438) has the molecular formula C₂₃H₂₃FN₄O₄ and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
• PubChem CID: 177262438
• Molecular Formula: C₂₃H₂₃FN₄O₄
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.17
• IUPAC Name: 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)NCc2ccc3c(c2F)CN(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C23H23FN4O4/c1-27(2)15-6-3-13(4-7-15)21(30)25-11-14-5-8-16-17(20(14)24)12-28(23(16)32)18-9-10-19(29)26-22(18)31/h3-8,18H,9-12H2,1-2H3,(H,25,30)(H,26,29,31)
• InChIKey: MUYAIXWJAVVSHK-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	1.58
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 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (CID 177262438) is 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide is CN(C)c1ccc(C(=O)NCc2ccc3c(c2F)CN(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?

The InChIKey is MUYAIXWJAVVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-27(2)15-6-3-13(4-7-15)21(30)25-11-14-5-8-16-17(20(14)24)12-28(23(16)32)18-9-10-19(29)26-22(18)31/h3-8,18H,9-12H2,1-2H3,(H,25,30)(H,26,29,31).

What are the key properties of 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?

4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide has a molecular weight of 438.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide is sourced from PubChem (CID 177262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177262438 — identifiers, structure, computed properties (public domain)

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