2-bromo-N-(2-methoxyethoxy)acetamide

C5H10BrNO3 — CID 82715006

IUPAC2-bromo-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CBr
InChIInChI=1S/C5H10BrNO3/c1-9-2-3-10-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
InChIKeyFLWXHGRAXUBHJI-UHFFFAOYSA-N
MW212.04 g/mol
LogP0.08
Rot. Bonds5

About 2-bromo-N-(2-methoxyethoxy)acetamide

2-bromo-N-(2-methoxyethoxy)acetamide (PubChem CID 82715006) has the molecular formula C5H10BrNO3 and a molecular weight of 212.04 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethoxy)acetamide
PubChem CID82715006
Molecular FormulaC5H10BrNO3
Molecular Weight212.04 g/mol
Exact Mass210.98
IUPAC Name2-bromo-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CBr
InChIInChI=1S/C5H10BrNO3/c1-9-2-3-10-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
InChIKeyFLWXHGRAXUBHJI-UHFFFAOYSA-N
XLogP0.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-bromo-N-(2-methoxyethoxy)acetamide (CID 82715006) is 2-bromo-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-methoxyethoxy)acetamide?
The InChIKey is FLWXHGRAXUBHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO3/c1-9-2-3-10-7-5(8)4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 2-bromo-N-(2-methoxyethoxy)acetamide?
2-bromo-N-(2-methoxyethoxy)acetamide has a molecular weight of 212.04 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 82715006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).