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

C18H11Cl3F3N3O2 — CID 57458243

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl3F3N3O2/c19-10-4-1-2-7-13(10)27-16(8-14(26-27)18(22,23)24)29-9-15(28)25-17-11(20)5-3-6-12(17)21/h1-8H,9H2,(H,25,28)
InChIKeyZTLWYZUZPVPSFR-UHFFFAOYSA-N
MW464.66 g/mol
LogP5.87
Rot. Bonds5

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide (PubChem CID 57458243) has the molecular formula C18H11Cl3F3N3O2 and a molecular weight of 464.66 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide
PubChem CID57458243
Molecular FormulaC18H11Cl3F3N3O2
Molecular Weight464.66 g/mol
Exact Mass462.99
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl3F3N3O2/c19-10-4-1-2-7-13(10)27-16(8-14(26-27)18(22,23)24)29-9-15(28)25-17-11(20)5-3-6-12(17)21/h1-8H,9H2,(H,25,28)
InChIKeyZTLWYZUZPVPSFR-UHFFFAOYSA-N
XLogP5.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
CID 2801294
N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
CID 2801296
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 10163534
2-[4-chloro-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N,N-bis(prop-2-enyl)acetamide
CID 54231388
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 57458244
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 57458245
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(2-methylphenyl)acetamide
CID 57458247
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 57458248
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(3,5-difluorophenyl)acetamide
CID 57458249
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide
CID 57458250
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-phenylacetamide
CID 57458252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide (CID 57458243) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is ZTLWYZUZPVPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3F3N3O2/c19-10-4-1-2-7-13(10)27-16(8-14(26-27)18(22,23)24)29-9-15(28)25-17-11(20)5-3-6-12(17)21/h1-8H,9H2,(H,25,28).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 464.66 g/mol, XLogP of 5.87, 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-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 57458243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).