2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide

C11H14BrNO4 — CID 2990973

IUPAC2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
SMILESCCOc1cc(CO)cc(Br)c1OCC(N)=O
InChIInChI=1S/C11H14BrNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-4,14H,2,5-6H2,1H3,(H2,13,15)
InChIKeyFGLAWPNBPIBDBY-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide

2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 2990973) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
PubChem CID2990973
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
SMILESCCOc1cc(CO)cc(Br)c1OCC(N)=O
InChIInChI=1S/C11H14BrNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-4,14H,2,5-6H2,1H3,(H2,13,15)
InChIKeyFGLAWPNBPIBDBY-UHFFFAOYSA-N
XLogP1.20
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide (CID 2990973) is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide is CCOc1cc(CO)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is FGLAWPNBPIBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-4,14H,2,5-6H2,1H3,(H2,13,15).
What are the key properties of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 304.14 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 2990973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).