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

C11H9ClFN3O2 — CID 29153674

IUPACN-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C11H9ClFN3O2/c1-6(17)14-5-10-15-11(16-18-10)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17)
InChIKeyFLACKJCITDLMOP-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.17
Rot. Bonds3

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

N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 29153674) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID29153674
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC NameN-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C11H9ClFN3O2/c1-6(17)14-5-10-15-11(16-18-10)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17)
InChIKeyFLACKJCITDLMOP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2803673
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CID 727946
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CID 2234663
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CID 6472998
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CID 12004934
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CID 12004936
CID 12004936

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 29153674) is N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(=O)NCc1nc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is FLACKJCITDLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-6(17)14-5-10-15-11(16-18-10)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 269.66 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 29153674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).