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

C19H15ClF3N3O2 — CID 57458247

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-12-6-2-4-8-14(12)24-17(27)11-28-18-10-16(19(21,22)23)25-26(18)15-9-5-3-7-13(15)20/h2-10H,11H2,1H3,(H,24,27)
InChIKeyHMIKEODKVXKCDK-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.87
Rot. Bonds5

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide (PubChem CID 57458247) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide
PubChem CID57458247
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-12-6-2-4-8-14(12)24-17(27)11-28-18-10-16(19(21,22)23)25-26(18)15-9-5-3-7-13(15)20/h2-10H,11H2,1H3,(H,24,27)
InChIKeyHMIKEODKVXKCDK-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide (CID 57458247) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=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-methylphenyl)acetamide?
The InChIKey is HMIKEODKVXKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-12-6-2-4-8-14(12)24-17(27)11-28-18-10-16(19(21,22)23)25-26(18)15-9-5-3-7-13(15)20/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide has a molecular weight of 409.80 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 57458247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).