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

C18H16Br2N2O3 — CID 55670276

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C18H16Br2N2O3/c1-2-24-16-8-13(9-21)7-15(20)18(16)25-11-17(23)22-10-12-4-3-5-14(19)6-12/h3-8H,2,10-11H2,1H3,(H,22,23)
InChIKeyXUDIOSWOHVHCGP-UHFFFAOYSA-N
MW468.15 g/mol
LogP4.18
Rot. Bonds7

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

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide (PubChem CID 55670276) has the molecular formula C18H16Br2N2O3 and a molecular weight of 468.15 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
PubChem CID55670276
Molecular FormulaC18H16Br2N2O3
Molecular Weight468.15 g/mol
Exact Mass465.95
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C18H16Br2N2O3/c1-2-24-16-8-13(9-21)7-15(20)18(16)25-11-17(23)22-10-12-4-3-5-14(19)6-12/h3-8H,2,10-11H2,1H3,(H,22,23)
InChIKeyXUDIOSWOHVHCGP-UHFFFAOYSA-N
XLogP4.18
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.15
LogP ≤ 54.18
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-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 55670661
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55721921
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
CID 19617618
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7706808
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
CID 55844843

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide (CID 55670276) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide?
The InChIKey is XUDIOSWOHVHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O3/c1-2-24-16-8-13(9-21)7-15(20)18(16)25-11-17(23)22-10-12-4-3-5-14(19)6-12/h3-8H,2,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide has a molecular weight of 468.15 g/mol, XLogP of 4.18, 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-[(3-bromophenyl)methyl]acetamide is sourced from PubChem (CID 55670276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).