N-(2-bromoethoxy)acetamide

C4H8BrNO2 — CID 89003811

IUPACN-(2-bromoethoxy)acetamide
SMILESCC(=O)NOCCBr
InChIInChI=1S/C4H8BrNO2/c1-4(7)6-8-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyOBMFUFQKRLXQDO-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.45
Rot. Bonds3

About N-(2-bromoethoxy)acetamide

N-(2-bromoethoxy)acetamide (PubChem CID 89003811) has the molecular formula C4H8BrNO2 and a molecular weight of 182.02 g/mol. Its IUPAC name is N-(2-bromoethoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoethoxy)acetamide
PubChem CID89003811
Molecular FormulaC4H8BrNO2
Molecular Weight182.02 g/mol
Exact Mass180.97
IUPAC NameN-(2-bromoethoxy)acetamide
SMILESCC(=O)NOCCBr
InChIInChI=1S/C4H8BrNO2/c1-4(7)6-8-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyOBMFUFQKRLXQDO-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-bromoethoxy)acetamide?
The IUPAC name of N-(2-bromoethoxy)acetamide (CID 89003811) is N-(2-bromoethoxy)acetamide.
What is the SMILES notation for N-(2-bromoethoxy)acetamide?
The canonical SMILES for N-(2-bromoethoxy)acetamide is CC(=O)NOCCBr.
What is the InChIKey of N-(2-bromoethoxy)acetamide?
The InChIKey is OBMFUFQKRLXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO2/c1-4(7)6-8-3-2-5/h2-3H2,1H3,(H,6,7).
What are the key properties of N-(2-bromoethoxy)acetamide?
N-(2-bromoethoxy)acetamide has a molecular weight of 182.02 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethoxy)acetamide is sourced from PubChem (CID 89003811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).