2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide

C15H15BrN2O2 — CID 23737057

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccn2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-7-11(2)15(12(16)8-10)20-9-14(19)18-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyFIHKJCJSMXMHEQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide

2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide (PubChem CID 23737057) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide
PubChem CID23737057
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccn2)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-7-11(2)15(12(16)8-10)20-9-14(19)18-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyFIHKJCJSMXMHEQ-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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Related Compounds

2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 924627
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676599
2-(2-ethylphenoxy)-N-pyridin-2-ylacetamide
CID 47111739

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide (CID 23737057) is 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide is Cc1cc(C)c(OCC(=O)Nc2ccccn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The InChIKey is FIHKJCJSMXMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-7-11(2)15(12(16)8-10)20-9-14(19)18-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-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-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23737057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).