2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C10H7BrFN3O2 — CID 114559758

IUPAC2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C10H7BrFN3O2/c1-5-13-10(17-15-5)14-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,14,15,16)
InChIKeyNNQKZYFZHMKHME-UHFFFAOYSA-N
MW300.09 g/mol
LogP2.53
Rot. Bonds2

About 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 114559758) has the molecular formula C10H7BrFN3O2 and a molecular weight of 300.09 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID114559758
Molecular FormulaC10H7BrFN3O2
Molecular Weight300.09 g/mol
Exact Mass298.97
IUPAC Name2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C10H7BrFN3O2/c1-5-13-10(17-15-5)14-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,14,15,16)
InChIKeyNNQKZYFZHMKHME-UHFFFAOYSA-N
XLogP2.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115696967
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide
CID 114559422
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 114559758) is 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2c(F)cccc2Br)n1.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is NNQKZYFZHMKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O2/c1-5-13-10(17-15-5)14-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 300.09 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 114559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).