2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

C15H15BrN2O2 — CID 744767

IUPAC2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccncc2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-11-2-3-14(13(16)8-11)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHRFACMDLMQEMMZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 744767) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID744767
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccncc2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-11-2-3-14(13(16)8-11)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHRFACMDLMQEMMZ-UHFFFAOYSA-N
XLogP2.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)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-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 744767) is 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(OCC(=O)NCc2ccncc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is HRFACMDLMQEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-11-2-3-14(13(16)8-11)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 335.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 744767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).