4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C₂₈H₂₆F₂N₄O₃ — CID 25105711

About 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105711) has the molecular formula C₂₈H₂₆F₂N₄O₃ and a molecular weight of 504.54 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
• PubChem CID: 25105711
• Molecular Formula: C₂₈H₂₆F₂N₄O₃
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.20
• IUPAC Name: 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
• SMILES: O=C(c1ccc(F)cc1)N(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(F)cc1
• InChI: InChI=1S/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37)
• InChIKey: WHRKLVVTDBQKSK-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 78.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
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-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The IUPAC name of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105711) is 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(c1ccc(F)cc1)N(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The InChIKey is WHRKLVVTDBQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37).

What are the key properties of 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 504.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25105711 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.