2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide

C23H23ClF3N3O3 — CID 57458293

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 57458293) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
• PubChem CID: 57458293
• Molecular Formula: C23H23ClF3N3O3
• Molecular Weight: 481.90 g/mol
• Exact Mass: 481.14
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
• SMILES: Cc1cccc(C)c1OCC(C)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
• InChI: InChI=1S/C23H23ClF3N3O3/c1-14-7-6-8-15(2)22(14)33-12-16(3)28-20(31)13-32-21-11-19(23(25,26)27)29-30(21)18-10-5-4-9-17(18)24/h4-11,16H,12-13H2,1-3H3,(H,28,31)
• InChIKey: MFTYFOMNVDJTTN-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.90
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide (CID 57458293) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide is Cc1cccc(C)c1OCC(C)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.

What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?

The InChIKey is MFTYFOMNVDJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c1-14-7-6-8-15(2)22(14)33-12-16(3)28-20(31)13-32-21-11-19(23(25,26)27)29-30(21)18-10-5-4-9-17(18)24/h4-11,16H,12-13H2,1-3H3,(H,28,31).

What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide?

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 481.90 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 57458293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).