2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide

C24H23F2N3O3 — CID 58091103

About 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide

2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide (PubChem CID 58091103) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
• PubChem CID: 58091103
• Molecular Formula: C24H23F2N3O3
• Molecular Weight: 439.46 g/mol
• Exact Mass: 439.17
• IUPAC Name: 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
• SMILES: O=C(Cc1cccc(CN2CCOCC2)c1)C1=NCC=C1NC(=O)c1c(F)cccc1F
• InChI: InChI=1S/C24H23F2N3O3/c25-18-5-2-6-19(26)22(18)24(31)28-20-7-8-27-23(20)21(30)14-16-3-1-4-17(13-16)15-29-9-11-32-12-10-29/h1-7,13H,8-12,14-15H2,(H,28,31)
• InChIKey: PBXQXPUOSWBYST-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.46
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide (CID 58091103) is 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide is O=C(Cc1cccc(CN2CCOCC2)c1)C1=NCC=C1NC(=O)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?

The InChIKey is PBXQXPUOSWBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c25-18-5-2-6-19(26)22(18)24(31)28-20-7-8-27-23(20)21(30)14-16-3-1-4-17(13-16)15-29-9-11-32-12-10-29/h1-7,13H,8-12,14-15H2,(H,28,31).

What are the key properties of 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?

2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide has a molecular weight of 439.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 58091103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).