2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

C11H6ClF4N3O3 — CID 166939341

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H6ClF4N3O3/c12-6-3-5(13)1-2-7(6)21-4-8(20)17-10-19-18-9(22-10)11(14,15)16/h1-3H,4H2,(H,17,19,20)
InChIKeyGQSXMPGZVZHMHS-UHFFFAOYSA-N
MW339.63 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 166939341) has the molecular formula C11H6ClF4N3O3 and a molecular weight of 339.63 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID166939341
Molecular FormulaC11H6ClF4N3O3
Molecular Weight339.63 g/mol
Exact Mass339.00
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H6ClF4N3O3/c12-6-3-5(13)1-2-7(6)21-4-8(20)17-10-19-18-9(22-10)11(14,15)16/h1-3H,4H2,(H,17,19,20)
InChIKeyGQSXMPGZVZHMHS-UHFFFAOYSA-N
XLogP2.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 166939341) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc(F)cc1Cl)Nc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is GQSXMPGZVZHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O3/c12-6-3-5(13)1-2-7(6)21-4-8(20)17-10-19-18-9(22-10)11(14,15)16/h1-3H,4H2,(H,17,19,20).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 339.63 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 166939341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).