2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H13BrFN3O2 — CID 43397452

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H13BrFN3O2/c1-7-13(8(2)18-17-7)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLHZYKBFOJWXAEX-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 43397452) has the molecular formula C13H13BrFN3O2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID43397452
Molecular FormulaC13H13BrFN3O2
Molecular Weight342.17 g/mol
Exact Mass341.02
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H13BrFN3O2/c1-7-13(8(2)18-17-7)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLHZYKBFOJWXAEX-UHFFFAOYSA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519
2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43022536
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 122158377
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 43397452) is 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is LHZYKBFOJWXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2/c1-7-13(8(2)18-17-7)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 342.17 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43397452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).