2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C13H10Cl2F3N3O2 — CID 75394612

IUPAC2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)no1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21(6-10-19-12(20-23-10)13(16,17)18)11(22)5-7-8(14)3-2-4-9(7)15/h2-4H,5-6H2,1H3
InChIKeyZTJDDFSEZDFMOX-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 75394612) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID75394612
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC Name2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)no1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21(6-10-19-12(20-23-10)13(16,17)18)11(22)5-7-8(14)3-2-4-9(7)15/h2-4H,5-6H2,1H3
InChIKeyZTJDDFSEZDFMOX-UHFFFAOYSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 75394612) is 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CN(Cc1nc(C(F)(F)F)no1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is ZTJDDFSEZDFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c1-21(6-10-19-12(20-23-10)13(16,17)18)11(22)5-7-8(14)3-2-4-9(7)15/h2-4H,5-6H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 368.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 75394612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).