2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C10H9BrN4O2 — CID 698938

IUPAC2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1ncn[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-3-8(4-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyLVHRVVBCZHMXSS-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 698938) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID698938
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1ncn[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-3-8(4-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyLVHRVVBCZHMXSS-UHFFFAOYSA-N
XLogP1.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691197
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 60506910
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 7638236
5-[[2-(3-bromophenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43474292
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 698938) is 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1cccc(Br)c1)Nc1ncn[nH]1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LVHRVVBCZHMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-2-1-3-8(4-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16).
What are the key properties of 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 297.11 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 698938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).