2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

C19H20BrN3O3 — CID 78870008

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(C)nc1C
InChIInChI=1S/C19H20BrN3O3/c1-5-25-16-8-14(9-21)7-15(20)19(16)26-10-17(24)23-18-11(2)6-12(3)22-13(18)4/h6-8H,5,10H2,1-4H3,(H,23,24)
InChIKeyIOTPGCKPDRNCLW-UHFFFAOYSA-N
MW418.29 g/mol
LogP4.06
Rot. Bonds6

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 78870008) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID78870008
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(C)nc1C
InChIInChI=1S/C19H20BrN3O3/c1-5-25-16-8-14(9-21)7-15(20)19(16)26-10-17(24)23-18-11(2)6-12(3)22-13(18)4/h6-8H,5,10H2,1-4H3,(H,23,24)
InChIKeyIOTPGCKPDRNCLW-UHFFFAOYSA-N
XLogP4.06
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7706828
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7706808
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 55670661
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 112822089
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-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
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-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 78870008) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(C)nc1C.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is IOTPGCKPDRNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-5-25-16-8-14(9-21)7-15(20)19(16)26-10-17(24)23-18-11(2)6-12(3)22-13(18)4/h6-8H,5,10H2,1-4H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide has a molecular weight of 418.29 g/mol, XLogP of 4.06, 6 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-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 78870008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).