2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide

C11H8Cl2FN3O2S — CID 135345852

IUPAC2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1c(Cl)cc(F)c(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C11H8Cl2FN3O2S/c1-4-16-17-11(19-4)15-10(18)7-6(14)3-5(12)9(20-2)8(7)13/h3H,1-2H3,(H,15,17,18)
InChIKeyBUMWJPILCRRKHD-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.80
Rot. Bonds3

About 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide

2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 135345852) has the molecular formula C11H8Cl2FN3O2S and a molecular weight of 336.18 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID135345852
Molecular FormulaC11H8Cl2FN3O2S
Molecular Weight336.18 g/mol
Exact Mass334.97
IUPAC Name2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1c(Cl)cc(F)c(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C11H8Cl2FN3O2S/c1-4-16-17-11(19-4)15-10(18)7-6(14)3-5(12)9(20-2)8(7)13/h3H,1-2H3,(H,15,17,18)
InChIKeyBUMWJPILCRRKHD-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide (CID 135345852) is 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide is CSc1c(Cl)cc(F)c(C(=O)Nc2nnc(C)o2)c1Cl.
What is the InChIKey of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is BUMWJPILCRRKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2S/c1-4-16-17-11(19-4)15-10(18)7-6(14)3-5(12)9(20-2)8(7)13/h3H,1-2H3,(H,15,17,18).
What are the key properties of 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 336.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 135345852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).