2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide

C13H10BrClN2O2 — CID 965265

IUPAC2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccncc1
InChIInChI=1S/C13H10BrClN2O2/c14-11-7-9(15)1-2-12(11)19-8-13(18)17-10-3-5-16-6-4-10/h1-7H,8H2,(H,16,17,18)
InChIKeyMVUUPQNVAFKJMC-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide

2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide (PubChem CID 965265) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide
PubChem CID965265
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccncc1
InChIInChI=1S/C13H10BrClN2O2/c14-11-7-9(15)1-2-12(11)19-8-13(18)17-10-3-5-16-6-4-10/h1-7H,8H2,(H,16,17,18)
InChIKeyMVUUPQNVAFKJMC-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide (CID 965265) is 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccncc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is MVUUPQNVAFKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-11-7-9(15)1-2-12(11)19-8-13(18)17-10-3-5-16-6-4-10/h1-7H,8H2,(H,16,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide?
2-(2-bromo-4-chlorophenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 341.59 g/mol, XLogP of 3.52, 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-chlorophenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).