2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

C19H11ClF7N3O2 — CID 57458248

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H11ClF7N3O2/c20-12-3-1-2-4-14(12)30-17(8-15(29-30)19(25,26)27)32-9-16(31)28-13-6-5-10(21)7-11(13)18(22,23)24/h1-8H,9H2,(H,28,31)
InChIKeyBYZAZMGGVJJSMR-UHFFFAOYSA-N
MW481.76 g/mol
LogP5.72
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 57458248) has the molecular formula C19H11ClF7N3O2 and a molecular weight of 481.76 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID57458248
Molecular FormulaC19H11ClF7N3O2
Molecular Weight481.76 g/mol
Exact Mass481.04
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H11ClF7N3O2/c20-12-3-1-2-4-14(12)30-17(8-15(29-30)19(25,26)27)32-9-16(31)28-13-6-5-10(21)7-11(13)18(22,23)24/h1-8H,9H2,(H,28,31)
InChIKeyBYZAZMGGVJJSMR-UHFFFAOYSA-N
XLogP5.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.76
LogP ≤ 55.72
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-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (CID 57458248) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BYZAZMGGVJJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF7N3O2/c20-12-3-1-2-4-14(12)30-17(8-15(29-30)19(25,26)27)32-9-16(31)28-13-6-5-10(21)7-11(13)18(22,23)24/h1-8H,9H2,(H,28,31).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.76 g/mol, XLogP of 5.72, 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-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 57458248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).