2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide

C15H15BrN2O2 — CID 1254286

IUPAC2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-8-14(11(2)7-13(10)16)20-9-15(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyBOQVYTIYMDHSSL-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide

2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 1254286) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID1254286
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-8-14(11(2)7-13(10)16)20-9-15(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyBOQVYTIYMDHSSL-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide (CID 1254286) is 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide is Cc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is BOQVYTIYMDHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-8-14(11(2)7-13(10)16)20-9-15(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 1254286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).