N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide

C24H16Cl2F3N3O3 — CID 57458343

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2F3N3O3/c25-15-5-9-17(10-6-15)35-18-11-7-16(8-12-18)30-22(33)14-34-23-13-21(24(27,28)29)31-32(23)20-4-2-1-3-19(20)26/h1-13H,14H2,(H,30,33)
InChIKeyVOZBJSMRAIJSTQ-UHFFFAOYSA-N
MW522.31 g/mol
LogP7.01
Rot. Bonds7

About N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide

N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (PubChem CID 57458343) has the molecular formula C24H16Cl2F3N3O3 and a molecular weight of 522.31 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
PubChem CID57458343
Molecular FormulaC24H16Cl2F3N3O3
Molecular Weight522.31 g/mol
Exact Mass521.05
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2F3N3O3/c25-15-5-9-17(10-6-15)35-18-11-7-16(8-12-18)30-22(33)14-34-23-13-21(24(27,28)29)31-32(23)20-4-2-1-3-19(20)26/h1-13H,14H2,(H,30,33)
InChIKeyVOZBJSMRAIJSTQ-UHFFFAOYSA-N
XLogP7.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.31
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (CID 57458343) is N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The InChIKey is VOZBJSMRAIJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O3/c25-15-5-9-17(10-6-15)35-18-11-7-16(8-12-18)30-22(33)14-34-23-13-21(24(27,28)29)31-32(23)20-4-2-1-3-19(20)26/h1-13H,14H2,(H,30,33).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide has a molecular weight of 522.31 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is sourced from PubChem (CID 57458343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).