4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide

C11H7BrF3N3O2 — CID 115735305

IUPAC4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCc1noc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H7BrF3N3O2/c1-5-16-10(20-18-5)17-9(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,17,18,19)
InChIKeyUBDHDRRPJQDGDF-UHFFFAOYSA-N
MW350.09 g/mol
LogP3.41
Rot. Bonds2

About 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide

4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 115735305) has the molecular formula C11H7BrF3N3O2 and a molecular weight of 350.09 g/mol. Its IUPAC name is 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID115735305
Molecular FormulaC11H7BrF3N3O2
Molecular Weight350.09 g/mol
Exact Mass348.97
IUPAC Name4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCc1noc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H7BrF3N3O2/c1-5-16-10(20-18-5)17-9(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,17,18,19)
InChIKeyUBDHDRRPJQDGDF-UHFFFAOYSA-N
XLogP3.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 47045444
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide (CID 115735305) is 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide is Cc1noc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is UBDHDRRPJQDGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O2/c1-5-16-10(20-18-5)17-9(19)6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,17,18,19).
What are the key properties of 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 350.09 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115735305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).