2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide

C12H9BrFN3O2 — CID 114559422

IUPAC2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1c(F)cccc1Br
InChIInChI=1S/C12H9BrFN3O2/c13-7-2-1-3-8(14)9(7)10(18)15-12-17-16-11(19-12)6-4-5-6/h1-3,6H,4-5H2,(H,15,17,18)
InChIKeyZOGDGECSQWJOTB-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.10
Rot. Bonds3

About 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide

2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide (PubChem CID 114559422) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide
PubChem CID114559422
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1c(F)cccc1Br
InChIInChI=1S/C12H9BrFN3O2/c13-7-2-1-3-8(14)9(7)10(18)15-12-17-16-11(19-12)6-4-5-6/h1-3,6H,4-5H2,(H,15,17,18)
InChIKeyZOGDGECSQWJOTB-UHFFFAOYSA-N
XLogP3.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 114559758
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
CID 169248580
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethylsulfanyl)benzamide
CID 164839590
2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-nitrobenzamide
CID 115930995
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide (CID 114559422) is 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide is O=C(Nc1nnc(C2CC2)o1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide?
The InChIKey is ZOGDGECSQWJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-7-2-1-3-8(14)9(7)10(18)15-12-17-16-11(19-12)6-4-5-6/h1-3,6H,4-5H2,(H,15,17,18).
What are the key properties of 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide?
2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide has a molecular weight of 326.13 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 114559422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).