N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C16H11F2N3O2 — CID 99817536

IUPACN-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)Nc3c(F)cccc3F)c2)o1
InChIInChI=1S/C16H11F2N3O2/c1-9-20-21-16(23-9)11-5-2-4-10(8-11)15(22)19-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22)
InChIKeyNYLCDQSSTRJDEW-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.58
Rot. Bonds3

About N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 99817536) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID99817536
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC NameN-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)Nc3c(F)cccc3F)c2)o1
InChIInChI=1S/C16H11F2N3O2/c1-9-20-21-16(23-9)11-5-2-4-10(8-11)15(22)19-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22)
InChIKeyNYLCDQSSTRJDEW-UHFFFAOYSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392971
3-fluoro-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pyridin-3-ylbenzamide
CID 169414799
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166416546
3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
CID 169420008
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 95904490
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 99817536) is N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2cccc(C(=O)Nc3c(F)cccc3F)c2)o1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is NYLCDQSSTRJDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-9-20-21-16(23-9)11-5-2-4-10(8-11)15(22)19-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22).
What are the key properties of N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 315.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 99817536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).