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

C11H9BrFN3O2 — CID 54903528

IUPAC2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2ccc(F)cc2Br)n1
InChIInChI=1S/C11H9BrFN3O2/c1-6-15-10(18-16-6)5-14-11(17)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17)
InChIKeyQJHODJFHNKMQLE-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.21
Rot. Bonds3

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

2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 54903528) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID54903528
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2ccc(F)cc2Br)n1
InChIInChI=1S/C11H9BrFN3O2/c1-6-15-10(18-16-6)5-14-11(17)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17)
InChIKeyQJHODJFHNKMQLE-UHFFFAOYSA-N
XLogP2.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
CID 47063305
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
CID 56801772
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 107518684
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
1-(2-bromo-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103781428
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
5-bromo-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62248272
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 54903528) is 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1noc(CNC(=O)c2ccc(F)cc2Br)n1.
What is the InChIKey of 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is QJHODJFHNKMQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c1-6-15-10(18-16-6)5-14-11(17)8-3-2-7(13)4-9(8)12/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 314.11 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 54903528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).