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

C10H9BrN4O2 — CID 718673

IUPAC2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ncn[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyIZDJUHZKYTXBIS-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.58
Rot. Bonds4

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

2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 718673) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID718673
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ncn[nH]1
InChIInChI=1S/C10H9BrN4O2/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKeyIZDJUHZKYTXBIS-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

Analyze 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 718673) is 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IZDJUHZKYTXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-1-3-8(4-2-7)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-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-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-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 718673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).