N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C23H23F3N4O2 — CID 24664754

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 24664754) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
• PubChem CID: 24664754
• Molecular Formula: C23H23F3N4O2
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.18
• IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
• SMILES: Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(Cc2ccco2)c1C
• InChI: InChI=1S/C23H23F3N4O2/c1-15-16(2)30(13-18-8-6-10-32-18)22(19(15)11-27)28-21(31)14-29(3)12-17-7-4-5-9-20(17)23(24,25)26/h4-10H,12-14H2,1-3H3,(H,28,31)
• InChIKey: PSQAZYBLPZFXLS-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 74.20 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	444.46
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?

The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 24664754) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?

The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(Cc2ccco2)c1C.

What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?

The InChIKey is PSQAZYBLPZFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-15-16(2)30(13-18-8-6-10-32-18)22(19(15)11-27)28-21(31)14-29(3)12-17-7-4-5-9-20(17)23(24,25)26/h4-10H,12-14H2,1-3H3,(H,28,31).

What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 444.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).