2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H7BrF4N4O2 — CID 43022536

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyAEJVETYUEPKKHP-UHFFFAOYSA-N
MW383.10 g/mol
LogP2.74
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 43022536) has the molecular formula C11H7BrF4N4O2 and a molecular weight of 383.10 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID43022536
Molecular FormulaC11H7BrF4N4O2
Molecular Weight383.10 g/mol
Exact Mass381.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyAEJVETYUEPKKHP-UHFFFAOYSA-N
XLogP2.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.10
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,5-trichlorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 46548915
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 91821588
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 43022536) is 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(COc1ccc(F)cc1Br)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is AEJVETYUEPKKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 383.10 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 43022536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).