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

C19H14Cl2F3N3O3 — CID 59240490

IUPACN-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O3/c1-29-15-7-6-11(20)8-13(15)25-17(28)10-30-18-9-16(19(22,23)24)26-27(18)14-5-3-2-4-12(14)21/h2-9H,10H2,1H3,(H,25,28)
InChIKeyVHBSEVLRQHLOTL-UHFFFAOYSA-N
MW460.24 g/mol
LogP5.22
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (PubChem CID 59240490) has the molecular formula C19H14Cl2F3N3O3 and a molecular weight of 460.24 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
PubChem CID59240490
Molecular FormulaC19H14Cl2F3N3O3
Molecular Weight460.24 g/mol
Exact Mass459.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O3/c1-29-15-7-6-11(20)8-13(15)25-17(28)10-30-18-9-16(19(22,23)24)26-27(18)14-5-3-2-4-12(14)21/h2-9H,10H2,1H3,(H,25,28)
InChIKeyVHBSEVLRQHLOTL-UHFFFAOYSA-N
XLogP5.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.24
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide (CID 59240490) is N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is COc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
The InChIKey is VHBSEVLRQHLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O3/c1-29-15-7-6-11(20)8-13(15)25-17(28)10-30-18-9-16(19(22,23)24)26-27(18)14-5-3-2-4-12(14)21/h2-9H,10H2,1H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide has a molecular weight of 460.24 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide is sourced from PubChem (CID 59240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).