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

C11H9BrFN3O2 — CID 103744021

IUPAC5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncno1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFN3O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4H2,(H,14,17)
InChIKeyFUKUOHSFVMBLQS-UHFFFAOYSA-N
MW314.11 g/mol
LogP1.94
Rot. Bonds4

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

5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 103744021) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID103744021
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncno1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFN3O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4H2,(H,14,17)
InChIKeyFUKUOHSFVMBLQS-UHFFFAOYSA-N
XLogP1.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224
2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 103765613
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 103744021) is 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is O=C(NCCc1ncno1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is FUKUOHSFVMBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c12-7-1-2-9(13)8(5-7)11(17)14-4-3-10-15-6-16-18-10/h1-2,5-6H,3-4H2,(H,14,17).
What are the key properties of 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 314.11 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103744021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).