2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide

C21H19ClF3N3O4 — CID 57458490

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C21H19ClF3N3O4/c1-30-16-8-4-5-9-17(16)31-11-10-26-19(29)13-32-20-12-18(21(23,24)25)27-28(20)15-7-3-2-6-14(15)22/h2-9,12H,10-11,13H2,1H3,(H,26,29)
InChIKeyLCMYGLSRYILZBF-UHFFFAOYSA-N
MW469.85 g/mol
LogP4.13
Rot. Bonds9

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 57458490) has the molecular formula C21H19ClF3N3O4 and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID57458490
Molecular FormulaC21H19ClF3N3O4
Molecular Weight469.85 g/mol
Exact Mass469.10
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C21H19ClF3N3O4/c1-30-16-8-4-5-9-17(16)31-11-10-26-19(29)13-32-20-12-18(21(23,24)25)27-28(20)15-7-3-2-6-14(15)22/h2-9,12H,10-11,13H2,1H3,(H,26,29)
InChIKeyLCMYGLSRYILZBF-UHFFFAOYSA-N
XLogP4.13
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 57458490) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide is COc1ccccc1OCCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is LCMYGLSRYILZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O4/c1-30-16-8-4-5-9-17(16)31-11-10-26-19(29)13-32-20-12-18(21(23,24)25)27-28(20)15-7-3-2-6-14(15)22/h2-9,12H,10-11,13H2,1H3,(H,26,29).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 469.85 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 57458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).