2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide

C16H15BrN2O4 — CID 38404664

IUPAC2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccco1
InChIInChI=1S/C16H15BrN2O4/c1-2-21-14-7-11(8-18)6-13(17)16(14)23-10-15(20)19-9-12-4-3-5-22-12/h3-7H,2,9-10H2,1H3,(H,19,20)
InChIKeyNSAJCJZUUMMTJX-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.01
Rot. Bonds7

About 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 38404664) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID38404664
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccco1
InChIInChI=1S/C16H15BrN2O4/c1-2-21-14-7-11(8-18)6-13(17)16(14)23-10-15(20)19-9-12-4-3-5-22-12/h3-7H,2,9-10H2,1H3,(H,19,20)
InChIKeyNSAJCJZUUMMTJX-UHFFFAOYSA-N
XLogP3.01
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3-bromophenyl)methyl]acetamide
CID 55670276
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-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55721921
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 7706813
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 7456674
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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 38404664) is 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccco1.
What is the InChIKey of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NSAJCJZUUMMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-2-21-14-7-11(8-18)6-13(17)16(14)23-10-15(20)19-9-12-4-3-5-22-12/h3-7H,2,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 379.21 g/mol, XLogP of 3.01, 7 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 38404664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).