2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide

C15H16BrNO3 — CID 893585

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-2-11-5-6-14(13(16)8-11)20-10-15(18)17-9-12-4-3-7-19-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyQHDUICTUNKCDNF-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 893585) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID893585
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-2-11-5-6-14(13(16)8-11)20-10-15(18)17-9-12-4-3-7-19-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyQHDUICTUNKCDNF-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 893585) is 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide is CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QHDUICTUNKCDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-2-11-5-6-14(13(16)8-11)20-10-15(18)17-9-12-4-3-7-19-12/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 338.20 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 893585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).