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

C13H13ClFN3O2 — CID 86284652

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCN(CCc1ncon1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-18(6-5-12-16-8-20-17-12)13(19)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyQHMQBQMYYXSUHB-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.11
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 86284652) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID86284652
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCN(CCc1ncon1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-18(6-5-12-16-8-20-17-12)13(19)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyQHMQBQMYYXSUHB-UHFFFAOYSA-N
XLogP2.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
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2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 86284652) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is CN(CCc1ncon1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is QHMQBQMYYXSUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-18(6-5-12-16-8-20-17-12)13(19)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 297.72 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86284652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).