2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide

C14H17BrN2O3 — CID 39877203

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)C
InChIInChI=1S/C14H17BrN2O3/c1-4-19-12-6-10(7-16)5-11(15)14(12)20-8-13(18)17-9(2)3/h5-6,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyLZNOCNFNJGMXNF-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.62
Rot. Bonds6

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide (PubChem CID 39877203) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
PubChem CID39877203
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)C
InChIInChI=1S/C14H17BrN2O3/c1-4-19-12-6-10(7-16)5-11(15)14(12)20-8-13(18)17-9(2)3/h5-6,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyLZNOCNFNJGMXNF-UHFFFAOYSA-N
XLogP2.62
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 55670589
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7706808
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 55672328
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 75892146
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78870008
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55721921
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 55670661

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide (CID 39877203) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide?
The InChIKey is LZNOCNFNJGMXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-4-19-12-6-10(7-16)5-11(15)14(12)20-8-13(18)17-9(2)3/h5-6,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide has a molecular weight of 341.21 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 39877203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).