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

C12H8Cl2F3N3O2 — CID 19928660

IUPACN-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)C(F)(F)F)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C12H8Cl2F3N3O2/c1-6-18-9(19-22-6)5-20(11(21)12(15,16)17)10-7(13)3-2-4-8(10)14/h2-4H,5H2,1H3
InChIKeyLUIKLLYBCKZKJZ-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.78
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 19928660) has the molecular formula C12H8Cl2F3N3O2 and a molecular weight of 354.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID19928660
Molecular FormulaC12H8Cl2F3N3O2
Molecular Weight354.12 g/mol
Exact Mass352.99
IUPAC NameN-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)C(F)(F)F)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C12H8Cl2F3N3O2/c1-6-18-9(19-22-6)5-20(11(21)12(15,16)17)10-7(13)3-2-4-8(10)14/h2-4H,5H2,1H3
InChIKeyLUIKLLYBCKZKJZ-UHFFFAOYSA-N
XLogP3.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 19928660) is N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is Cc1nc(CN(C(=O)C(F)(F)F)c2c(Cl)cccc2Cl)no1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is LUIKLLYBCKZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3O2/c1-6-18-9(19-22-6)5-20(11(21)12(15,16)17)10-7(13)3-2-4-8(10)14/h2-4H,5H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 354.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19928660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).