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

C12H13BrN4O2 — CID 7375770

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncn[nH]2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-2-8-3-4-10(9(13)5-8)19-6-11(18)16-12-14-7-15-17-12/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyLAMPPSNGZPUTBL-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.15
Rot. Bonds5

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

2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 7375770) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID7375770
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncn[nH]2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-2-8-3-4-10(9(13)5-8)19-6-11(18)16-12-14-7-15-17-12/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyLAMPPSNGZPUTBL-UHFFFAOYSA-N
XLogP2.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-ethylphenoxy)-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

Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 814698
2-[(1-bromo-2-naphthyl)oxy]-N-4H-1,2,4-triazol-3-ylacetamide
CID 2215917
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 15991434
2-(4-bromo-3-methylphenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660879
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 7375770) is 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2ncn[nH]2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LAMPPSNGZPUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-2-8-3-4-10(9(13)5-8)19-6-11(18)16-12-14-7-15-17-12/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 325.17 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 7375770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).