2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide

C24H27F2N3O4 — CID 55958988

About 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide (PubChem CID 55958988) has the molecular formula C24H27F2N3O4 and a molecular weight of 459.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
• PubChem CID: 55958988
• Molecular Formula: C24H27F2N3O4
• Molecular Weight: 459.49 g/mol
• Exact Mass: 459.20
• IUPAC Name: 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
• SMILES: CCC(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1OCC(=O)N1CCCC1
• InChI: InChI=1S/C24H27F2N3O4/c1-2-20(28-22(30)14-27-24(32)17-10-9-16(25)13-19(17)26)18-7-3-4-8-21(18)33-15-23(31)29-11-5-6-12-29/h3-4,7-10,13,20H,2,5-6,11-12,14-15H2,1H3,(H,27,32)(H,28,30)
• InChIKey: JDJLWSDDNLLIRQ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.49
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide?

The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide (CID 55958988) is 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide.

What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide?

The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide is CCC(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1OCC(=O)N1CCCC1.

What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide?

The InChIKey is JDJLWSDDNLLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O4/c1-2-20(28-22(30)14-27-24(32)17-10-9-16(25)13-19(17)26)18-7-3-4-8-21(18)33-15-23(31)29-11-5-6-12-29/h3-4,7-10,13,20H,2,5-6,11-12,14-15H2,1H3,(H,27,32)(H,28,30).

What are the key properties of 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide?

2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide has a molecular weight of 459.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide is sourced from PubChem (CID 55958988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).