2,4-dibromo-4-ethoxybutanamide

C6H11Br2NO2 — CID 91329189

IUPAC2,4-dibromo-4-ethoxybutanamide
SMILESCCOC(Br)CC(Br)C(N)=O
InChIInChI=1S/C6H11Br2NO2/c1-2-11-5(8)3-4(7)6(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyMEKRHUSPOCVABG-UHFFFAOYSA-N
MW288.97 g/mol
LogP1.38
Rot. Bonds5

About 2,4-dibromo-4-ethoxybutanamide

2,4-dibromo-4-ethoxybutanamide (PubChem CID 91329189) has the molecular formula C6H11Br2NO2 and a molecular weight of 288.97 g/mol. Its IUPAC name is 2,4-dibromo-4-ethoxybutanamide.

Molecular Properties

Compound Name2,4-dibromo-4-ethoxybutanamide
PubChem CID91329189
Molecular FormulaC6H11Br2NO2
Molecular Weight288.97 g/mol
Exact Mass286.92
IUPAC Name2,4-dibromo-4-ethoxybutanamide
SMILESCCOC(Br)CC(Br)C(N)=O
InChIInChI=1S/C6H11Br2NO2/c1-2-11-5(8)3-4(7)6(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyMEKRHUSPOCVABG-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromobutanamide
CID 51414846
acetamide;1-ethoxyethanol
CID 175470032
2-ethoxy-2-methoxyacetamide
CID 54503538
2-bromo-4-chloro-5-methylhexanamide
CID 137380324
4,4-diethoxy-2-methylbutanamide
CID 90312844
1-bromo-1-ethoxypropane
CID 21478527
3-chloro-1,1-diethoxypropan-2-one
CID 10921139
2-ethoxyoctanamide
CID 174492663
2-ethoxybutyl ethyl carbonate
CID 87247683
2-bromo-5-oxohexanamide
CID 167014483
diethyl (2S)-2-bromobutanedioate
CID 10422366
2-bromo-2-(2-hydroxyethoxy)acetamide
CID 175386599

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-4-ethoxybutanamide?
The IUPAC name of 2,4-dibromo-4-ethoxybutanamide (CID 91329189) is 2,4-dibromo-4-ethoxybutanamide.
What is the SMILES notation for 2,4-dibromo-4-ethoxybutanamide?
The canonical SMILES for 2,4-dibromo-4-ethoxybutanamide is CCOC(Br)CC(Br)C(N)=O.
What is the InChIKey of 2,4-dibromo-4-ethoxybutanamide?
The InChIKey is MEKRHUSPOCVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2NO2/c1-2-11-5(8)3-4(7)6(9)10/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 2,4-dibromo-4-ethoxybutanamide?
2,4-dibromo-4-ethoxybutanamide has a molecular weight of 288.97 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-4-ethoxybutanamide is sourced from PubChem (CID 91329189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).