2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide

C13H12ClF2N3O3S — CID 166505093

IUPAC2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1c(OCC(F)F)ccc(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C13H12ClF2N3O3S/c1-6-18-19-13(22-6)17-12(20)7-3-4-8(21-5-9(15)16)11(23-2)10(7)14/h3-4,9H,5H2,1-2H3,(H,17,19,20)
InChIKeyRXOTYLCDBZVMIR-UHFFFAOYSA-N
MW363.77 g/mol
LogP3.65
Rot. Bonds6

About 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide

2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 166505093) has the molecular formula C13H12ClF2N3O3S and a molecular weight of 363.77 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID166505093
Molecular FormulaC13H12ClF2N3O3S
Molecular Weight363.77 g/mol
Exact Mass363.03
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1c(OCC(F)F)ccc(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C13H12ClF2N3O3S/c1-6-18-19-13(22-6)17-12(20)7-3-4-8(21-5-9(15)16)11(23-2)10(7)14/h3-4,9H,5H2,1-2H3,(H,17,19,20)
InChIKeyRXOTYLCDBZVMIR-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 118642163
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
3-fluoro-2-hydrazinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105388648
2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 170648000
1-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinoline-4-carboxamide
CID 106766417
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
CID 166505037
5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
CID 113218119
5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347254
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
[2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-6-(trifluoromethyl)phenyl]methanesulfinic acid
CID 138703356
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105071356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide (CID 166505093) is 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide is CSc1c(OCC(F)F)ccc(C(=O)Nc2nnc(C)o2)c1Cl.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is RXOTYLCDBZVMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O3S/c1-6-18-19-13(22-6)17-12(20)7-3-4-8(21-5-9(15)16)11(23-2)10(7)14/h3-4,9H,5H2,1-2H3,(H,17,19,20).
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide?
2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 363.77 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 166505093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).