2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide

C19H18Br2N2O3 — CID 55670589

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H18Br2N2O3/c1-3-25-17-8-13(10-22)7-16(21)19(17)26-11-18(24)23-12(2)14-5-4-6-15(20)9-14/h4-9,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyGTIPJJYOIHMTBD-UHFFFAOYSA-N
MW482.17 g/mol
LogP4.74
Rot. Bonds7

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide (PubChem CID 55670589) has the molecular formula C19H18Br2N2O3 and a molecular weight of 482.17 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
PubChem CID55670589
Molecular FormulaC19H18Br2N2O3
Molecular Weight482.17 g/mol
Exact Mass479.97
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H18Br2N2O3/c1-3-25-17-8-13(10-22)7-16(21)19(17)26-11-18(24)23-12(2)14-5-4-6-15(20)9-14/h4-9,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyGTIPJJYOIHMTBD-UHFFFAOYSA-N
XLogP4.74
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
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-[1-(furan-2-yl)propan-2-yl]acetamide
CID 55672328
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-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55721921

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide (CID 55670589) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The InChIKey is GTIPJJYOIHMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2N2O3/c1-3-25-17-8-13(10-22)7-16(21)19(17)26-11-18(24)23-12(2)14-5-4-6-15(20)9-14/h4-9,12H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide has a molecular weight of 482.17 g/mol, XLogP of 4.74, 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-[1-(3-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 55670589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).