2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide

C20H21BrN2O3 — CID 7706808

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H21BrN2O3/c1-4-25-18-10-14(11-22)9-17(21)20(18)26-12-19(24)23-16-7-5-15(6-8-16)13(2)3/h5-10,13H,4,12H2,1-3H3,(H,23,24)
InChIKeySQZYDGBXKZLVAZ-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.86
Rot. Bonds7

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

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7706808) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7706808
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H21BrN2O3/c1-4-25-18-10-14(11-22)9-17(21)20(18)26-12-19(24)23-16-7-5-15(6-8-16)13(2)3/h5-10,13H,4,12H2,1-3H3,(H,23,24)
InChIKeySQZYDGBXKZLVAZ-UHFFFAOYSA-N
XLogP4.86
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55762616
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 55670589
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-[1-(furan-2-yl)propan-2-yl]acetamide
CID 55672328
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 55670661
3-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55892956

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide (CID 7706808) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is SQZYDGBXKZLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-4-25-18-10-14(11-22)9-17(21)20(18)26-12-19(24)23-16-7-5-15(6-8-16)13(2)3/h5-10,13H,4,12H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 417.30 g/mol, XLogP of 4.86, 7 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7706808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).