2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide

C14H13BrN2O2 — CID 2225555

IUPAC2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18)
InChIKeyYDKUWFATQAYMQH-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide

2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2225555) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2225555
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18)
InChIKeyYDKUWFATQAYMQH-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenoxy)-N-(pyridin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 2225555) is 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccccc1Br)NCc1ccccn1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YDKUWFATQAYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 321.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2225555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).