2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C11H9BrFN3O3 — CID 47045391

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)COc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H9BrFN3O3/c1-6-14-11(19-16-6)15-10(17)5-18-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,15,16,17)
InChIKeyGJJWZFMBLVHOII-UHFFFAOYSA-N
MW330.11 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 47045391) has the molecular formula C11H9BrFN3O3 and a molecular weight of 330.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID47045391
Molecular FormulaC11H9BrFN3O3
Molecular Weight330.11 g/mol
Exact Mass328.98
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)COc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H9BrFN3O3/c1-6-14-11(19-16-6)15-10(17)5-18-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,15,16,17)
InChIKeyGJJWZFMBLVHOII-UHFFFAOYSA-N
XLogP2.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 43071322
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 47045391) is 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(NC(=O)COc2ccc(Br)cc2F)n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is GJJWZFMBLVHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O3/c1-6-14-11(19-16-6)15-10(17)5-18-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 330.11 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 47045391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).