2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

C11H11BrN4O2 — CID 2953549

IUPAC2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nn1cnnc1
InChIInChI=1S/C11H11BrN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-9(12)3-5-10/h2-8H,1H3,(H,15,17)
InChIKeyOUYQMRZXTZIAJD-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 2953549) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID2953549
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nn1cnnc1
InChIInChI=1S/C11H11BrN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-9(12)3-5-10/h2-8H,1H3,(H,15,17)
InChIKeyOUYQMRZXTZIAJD-UHFFFAOYSA-N
XLogP1.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide 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-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 814698
2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 2234820
2-(4-bromo-3-methylphenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660879
2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851476
2-(4-bromo-2,5-dimethylphenoxy)-N-4H-1,2,4-triazol-4-ylacetamide
CID 1253774
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide
CID 4779956
2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 682757
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 718673
2-(3-bromophenoxy)-N-4H-1,2,4-triazol-3-ylacetamide
CID 698938
2-(4-bromo-3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 1278249
4-phenoxy-N-(1,2,4-triazol-4-yl)butanamide
CID 2111445

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (CID 2953549) is 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nn1cnnc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is OUYQMRZXTZIAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-9(12)3-5-10/h2-8H,1H3,(H,15,17).
What are the key properties of 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 311.14 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 2953549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).