2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H23F3N2O4 — CID 26897725

About 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 26897725) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 26897725
• Molecular Formula: C24H23F3N2O4
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.16
• IUPAC Name: 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc2oc3c(c2c1)CCCC3
• InChI: InChI=1S/C24H23F3N2O4/c1-29(13-22(30)28-19-8-4-3-7-18(19)24(25,26)27)23(31)14-32-15-10-11-21-17(12-15)16-6-2-5-9-20(16)33-21/h3-4,7-8,10-12H,2,5-6,9,13-14H2,1H3,(H,28,30)
• InChIKey: MDCUKRJSHSGBJV-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 26897725) is 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc2oc3c(c2c1)CCCC3.

What is the InChIKey of 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is MDCUKRJSHSGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-29(13-22(30)28-19-8-4-3-7-18(19)24(25,26)27)23(31)14-32-15-10-11-21-17(12-15)16-6-2-5-9-20(16)33-21/h3-4,7-8,10-12H,2,5-6,9,13-14H2,1H3,(H,28,30).

What are the key properties of 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?

2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26897725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).