2-bromo-N-ethoxypropanamide

C5H10BrNO2 — CID 107905352

IUPAC2-bromo-N-ethoxypropanamide
SMILESCCONC(=O)C(C)Br
InChIInChI=1S/C5H10BrNO2/c1-3-9-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyNMYGTMHESORSNX-UHFFFAOYSA-N
MW196.04 g/mol
LogP0.84
Rot. Bonds3

About 2-bromo-N-ethoxypropanamide

2-bromo-N-ethoxypropanamide (PubChem CID 107905352) has the molecular formula C5H10BrNO2 and a molecular weight of 196.04 g/mol. Its IUPAC name is 2-bromo-N-ethoxypropanamide.

Molecular Properties

Compound Name2-bromo-N-ethoxypropanamide
PubChem CID107905352
Molecular FormulaC5H10BrNO2
Molecular Weight196.04 g/mol
Exact Mass194.99
IUPAC Name2-bromo-N-ethoxypropanamide
SMILESCCONC(=O)C(C)Br
InChIInChI=1S/C5H10BrNO2/c1-3-9-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyNMYGTMHESORSNX-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methoxy-2-methylpropanamide
CID 114328794
2-bromo-N-(2,2,2-trifluoroethoxy)propanamide
CID 107905623
N-methoxy-2,4-dibromobutyric acid amide
CID 14370687
2-bromo-N-hydroxypropanamide
CID 18416816
2-bromo-N-ethoxyacetamide
CID 21559537
N-ethoxy-2,4-dibromobutyric acid amide
CID 86632273
2-bromo-N-methoxypropanamide
CID 88350318
N-(2-bromoethoxy)acetamide
CID 89003811
2-bromo-N-butoxybutanamide
CID 89114409
2-bromo-N-ethoxy-2-methylpropanamide
CID 89867395
3-bromo-N-methoxypropanamide
CID 90074492
N-(4-bromobutoxy)acetamide
CID 90951979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethoxypropanamide?
The IUPAC name of 2-bromo-N-ethoxypropanamide (CID 107905352) is 2-bromo-N-ethoxypropanamide.
What is the SMILES notation for 2-bromo-N-ethoxypropanamide?
The canonical SMILES for 2-bromo-N-ethoxypropanamide is CCONC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-ethoxypropanamide?
The InChIKey is NMYGTMHESORSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO2/c1-3-9-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-bromo-N-ethoxypropanamide?
2-bromo-N-ethoxypropanamide has a molecular weight of 196.04 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethoxypropanamide is sourced from PubChem (CID 107905352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).