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

C11H9BrFN3O2 — CID 122146556

IUPAC2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3O2/c1-6-11(16-18-15-6)14-10(17)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H,14,16,17)
InChIKeyGOKGCKLUTDBYGY-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.46
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 122146556) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID122146556
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3O2/c1-6-11(16-18-15-6)14-10(17)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H,14,16,17)
InChIKeyGOKGCKLUTDBYGY-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 167947878
N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119739043
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446388
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
N-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)acetamide
CID 82706549
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501
2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide
CID 134706391
2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 166378194
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047983

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 122146556) is 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is GOKGCKLUTDBYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c1-6-11(16-18-15-6)14-10(17)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H,14,16,17).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 314.11 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 122146556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).