4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H27F2N3O3 — CID 55702964

About 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55702964) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 55702964
• Molecular Formula: C24H27F2N3O3
• Molecular Weight: 443.49 g/mol
• Exact Mass: 443.20
• IUPAC Name: 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
• InChI: InChI=1S/C24H27F2N3O3/c1-15(2)21(28-22(30)16-7-9-17(25)10-8-16)23(31)27-18-11-13-29(14-12-18)24(32)19-5-3-4-6-20(19)26/h3-10,15,18,21H,11-14H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: WXCUVCPVHIQKSU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55702964) is 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.

What is the InChIKey of 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is WXCUVCPVHIQKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-15(2)21(28-22(30)16-7-9-17(25)10-8-16)23(31)27-18-11-13-29(14-12-18)24(32)19-5-3-4-6-20(19)26/h3-10,15,18,21H,11-14H2,1-2H3,(H,27,31)(H,28,30).

What are the key properties of 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?

4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 443.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55702964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).