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

C15H15BrN2O2 — CID 894100

IUPAC2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCCc1ccc(OCC(=O)Nc2ccncc2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-11-3-4-14(13(16)9-11)20-10-15(19)18-12-5-7-17-8-6-12/h3-9H,2,10H2,1H3,(H,17,18,19)
InChIKeyAUBVMUPEAOVNQS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.42
Rot. Bonds5

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

2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 894100) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID894100
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCCc1ccc(OCC(=O)Nc2ccncc2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-11-3-4-14(13(16)9-11)20-10-15(19)18-12-5-7-17-8-6-12/h3-9H,2,10H2,1H3,(H,17,18,19)
InChIKeyAUBVMUPEAOVNQS-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-ethylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide (CID 894100) is 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide is CCc1ccc(OCC(=O)Nc2ccncc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is AUBVMUPEAOVNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-11-3-4-14(13(16)9-11)20-10-15(19)18-12-5-7-17-8-6-12/h3-9H,2,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide?
2-(2-bromo-4-ethylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.42, 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-ethylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 894100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).