2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C11H9ClFN3O3 — CID 166940156

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H9ClFN3O3/c1-6-15-16-11(19-6)14-10(17)5-18-9-3-2-7(13)4-8(9)12/h2-4H,5H2,1H3,(H,14,16,17)
InChIKeyPPRGYKFKSZTJBC-UHFFFAOYSA-N
MW285.66 g/mol
LogP2.19
Rot. Bonds4

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

2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 166940156) has the molecular formula C11H9ClFN3O3 and a molecular weight of 285.66 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID166940156
Molecular FormulaC11H9ClFN3O3
Molecular Weight285.66 g/mol
Exact Mass285.03
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H9ClFN3O3/c1-6-15-16-11(19-6)14-10(17)5-18-9-3-2-7(13)4-8(9)12/h2-4H,5H2,1H3,(H,14,16,17)
InChIKeyPPRGYKFKSZTJBC-UHFFFAOYSA-N
XLogP2.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 52.19
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-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 166940156) is 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is PPRGYKFKSZTJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3/c1-6-15-16-11(19-6)14-10(17)5-18-9-3-2-7(13)4-8(9)12/h2-4H,5H2,1H3,(H,14,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 285.66 g/mol, XLogP of 2.19, 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-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 166940156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).