2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide

C18H19BrN2O4 — CID 55672328

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)Cc1ccco1
InChIInChI=1S/C18H19BrN2O4/c1-3-23-16-9-13(10-20)8-15(19)18(16)25-11-17(22)21-12(2)7-14-5-4-6-24-14/h4-6,8-9,12H,3,7,11H2,1-2H3,(H,21,22)
InChIKeyGYKYFYDLDODHMR-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.44
Rot. Bonds8

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 55672328) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide
PubChem CID55672328
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)Cc1ccco1
InChIInChI=1S/C18H19BrN2O4/c1-3-23-16-9-13(10-20)8-15(19)18(16)25-11-17(22)21-12(2)7-14-5-4-6-24-14/h4-6,8-9,12H,3,7,11H2,1-2H3,(H,21,22)
InChIKeyGYKYFYDLDODHMR-UHFFFAOYSA-N
XLogP3.44
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 55670589
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7706808
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 75892146
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
CID 55844843
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide (CID 55672328) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)Cc1ccco1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is GYKYFYDLDODHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-23-16-9-13(10-20)8-15(19)18(16)25-11-17(22)21-12(2)7-14-5-4-6-24-14/h4-6,8-9,12H,3,7,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 55672328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).