4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide

C12H9BrF3N3O2 — CID 103799885

IUPAC4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncno1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF3N3O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20)
InChIKeyNGXFMSOOCVCTMB-UHFFFAOYSA-N
MW364.12 g/mol
LogP2.82
Rot. Bonds4

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

4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 103799885) has the molecular formula C12H9BrF3N3O2 and a molecular weight of 364.12 g/mol. Its IUPAC name is 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID103799885
Molecular FormulaC12H9BrF3N3O2
Molecular Weight364.12 g/mol
Exact Mass362.98
IUPAC Name4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncno1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF3N3O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20)
InChIKeyNGXFMSOOCVCTMB-UHFFFAOYSA-N
XLogP2.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 113253186
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 103765613
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103744021
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 103799885) is 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1ncno1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NGXFMSOOCVCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20).
What are the key properties of 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 364.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103799885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).