2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide

C17H19BrN2O2 — CID 2203155

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-17(2,3)12-4-5-15(14(18)10-12)22-11-16(21)20-13-6-8-19-9-7-13/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyGVNWDKJGPYXCCI-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.16
Rot. Bonds4

About 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide

2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 2203155) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID2203155
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-17(2,3)12-4-5-15(14(18)10-12)22-11-16(21)20-13-6-8-19-9-7-13/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyGVNWDKJGPYXCCI-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide 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-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide (CID 2203155) is 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is GVNWDKJGPYXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-17(2,3)12-4-5-15(14(18)10-12)22-11-16(21)20-13-6-8-19-9-7-13/h4-10H,11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 363.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 2203155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).