2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

C10H12BrNO4 — CID 6457780

IUPAC2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)c(Br)cc1OCC(N)=O
InChIInChI=1S/C10H12BrNO4/c1-15-8-2-6(4-13)7(11)3-9(8)16-5-10(12)14/h2-3,13H,4-5H2,1H3,(H2,12,14)
InChIKeyCNXFLMGAQAJRSG-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.81
Rot. Bonds5

About 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (PubChem CID 6457780) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
PubChem CID6457780
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)c(Br)cc1OCC(N)=O
InChIInChI=1S/C10H12BrNO4/c1-15-8-2-6(4-13)7(11)3-9(8)16-5-10(12)14/h2-3,13H,4-5H2,1H3,(H2,12,14)
InChIKeyCNXFLMGAQAJRSG-UHFFFAOYSA-N
XLogP0.81
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (CID 6457780) is 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is COc1cc(CO)c(Br)cc1OCC(N)=O.
What is the InChIKey of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is CNXFLMGAQAJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-15-8-2-6(4-13)7(11)3-9(8)16-5-10(12)14/h2-3,13H,4-5H2,1H3,(H2,12,14).
What are the key properties of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 290.11 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 6457780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).