N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide

C20H15ClF3N3O3 — CID 57458481

IUPACN-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-12(28)13-5-4-6-14(9-13)25-18(29)11-30-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11H2,1H3,(H,25,29)
InChIKeyXZAUDKJPVQKSTM-UHFFFAOYSA-N
MW437.81 g/mol
LogP4.76
Rot. Bonds6

About N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide

N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (PubChem CID 57458481) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
PubChem CID57458481
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC NameN-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-12(28)13-5-4-6-14(9-13)25-18(29)11-30-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11H2,1H3,(H,25,29)
InChIKeyXZAUDKJPVQKSTM-UHFFFAOYSA-N
XLogP4.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (CID 57458481) is N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is CC(=O)c1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The InChIKey is XZAUDKJPVQKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-12(28)13-5-4-6-14(9-13)25-18(29)11-30-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11H2,1H3,(H,25,29).
What are the key properties of N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide has a molecular weight of 437.81 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is sourced from PubChem (CID 57458481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).