2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide

C11H14BrNO3 — CID 2184244

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(OCC(=O)NCCO)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-8-2-3-10(9(12)6-8)16-7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyFJQDGXRVUMHZJQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.24
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide (PubChem CID 2184244) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide
PubChem CID2184244
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(OCC(=O)NCCO)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-8-2-3-10(9(12)6-8)16-7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyFJQDGXRVUMHZJQ-UHFFFAOYSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide (CID 2184244) is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide is Cc1ccc(OCC(=O)NCCO)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
The InChIKey is FJQDGXRVUMHZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-8-2-3-10(9(12)6-8)16-7-11(15)13-4-5-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide has a molecular weight of 288.14 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 2184244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).