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

C13H13BrFN3O2 — CID 115594885

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)COc2ccc(Br)cc2F)c1C
InChIInChI=1S/C13H13BrFN3O2/c1-7-8(2)17-18-13(7)16-12(19)6-20-11-4-3-9(14)5-10(11)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeySJQIVEVDJAHZJR-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.95
Rot. Bonds4

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

2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115594885) has the molecular formula C13H13BrFN3O2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID115594885
Molecular FormulaC13H13BrFN3O2
Molecular Weight342.17 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)COc2ccc(Br)cc2F)c1C
InChIInChI=1S/C13H13BrFN3O2/c1-7-8(2)17-18-13(7)16-12(19)6-20-11-4-3-9(14)5-10(11)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeySJQIVEVDJAHZJR-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

2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 115610032
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47045391
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-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 115594885) is 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)COc2ccc(Br)cc2F)c1C.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SJQIVEVDJAHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2/c1-7-8(2)17-18-13(7)16-12(19)6-20-11-4-3-9(14)5-10(11)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-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-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115594885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).