2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C11H9ClFN3O2 — CID 47045424

IUPAC2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFN3O2/c1-6-14-11(18-16-6)15-10(17)5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,15,16,17)
InChIKeyKJMWABUTZBUXNN-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 47045424) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID47045424
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFN3O2/c1-6-14-11(18-16-6)15-10(17)5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,15,16,17)
InChIKeyKJMWABUTZBUXNN-UHFFFAOYSA-N
XLogP2.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 47045424) is 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(NC(=O)Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is KJMWABUTZBUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-6-14-11(18-16-6)15-10(17)5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 269.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 47045424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).