2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide

C11H13BrClNO3 — CID 2230540

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyPYHMGYDCDRSHKU-UHFFFAOYSA-N
MW322.59 g/mol
LogP2.24
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 2230540) has the molecular formula C11H13BrClNO3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID2230540
Molecular FormulaC11H13BrClNO3
Molecular Weight322.59 g/mol
Exact Mass320.98
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO3/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyPYHMGYDCDRSHKU-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide (CID 2230540) is 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is PYHMGYDCDRSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 322.59 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2230540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).