2,3-dibromo-N,N-diethylpropanamide

C7H13Br2NO — CID 86249575

IUPAC2,3-dibromo-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(Br)CBr
InChIInChI=1S/C7H13Br2NO/c1-3-10(4-2)7(11)6(9)5-8/h6H,3-5H2,1-2H3
InChIKeyQKIKBCJEIGZPQM-UHFFFAOYSA-N
MW287.00 g/mol
LogP2.01
Rot. Bonds4

About 2,3-dibromo-N,N-diethylpropanamide

2,3-dibromo-N,N-diethylpropanamide (PubChem CID 86249575) has the molecular formula C7H13Br2NO and a molecular weight of 287.00 g/mol. Its IUPAC name is 2,3-dibromo-N,N-diethylpropanamide.

Molecular Properties

Compound Name2,3-dibromo-N,N-diethylpropanamide
PubChem CID86249575
Molecular FormulaC7H13Br2NO
Molecular Weight287.00 g/mol
Exact Mass284.94
IUPAC Name2,3-dibromo-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(Br)CBr
InChIInChI=1S/C7H13Br2NO/c1-3-10(4-2)7(11)6(9)5-8/h6H,3-5H2,1-2H3
InChIKeyQKIKBCJEIGZPQM-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.00
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dibromopentan-3-one
CID 15193415
2,2-dichloro-N,N-diethylacetamide
CID 141409453
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
CID 62856660
N,N-diethyl-2-hydroxy-3-methylselanylpropanamide
CID 141469545
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078182
2-bromo-N,N-bis(prop-2-ynyl)butanamide
CID 163668178
N,N-diethyl-2,3,3,3-tetrafluoropropanamide
CID 2774042
2-chloro-N,N-diethylpentanamide
CID 62224091
propanoyl 2,3-dibromopropanoate
CID 88675579
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
propyl 2,3-dibromopropanoate
CID 522726

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N,N-diethylpropanamide?
The IUPAC name of 2,3-dibromo-N,N-diethylpropanamide (CID 86249575) is 2,3-dibromo-N,N-diethylpropanamide.
What is the SMILES notation for 2,3-dibromo-N,N-diethylpropanamide?
The canonical SMILES for 2,3-dibromo-N,N-diethylpropanamide is CCN(CC)C(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N,N-diethylpropanamide?
The InChIKey is QKIKBCJEIGZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br2NO/c1-3-10(4-2)7(11)6(9)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 2,3-dibromo-N,N-diethylpropanamide?
2,3-dibromo-N,N-diethylpropanamide has a molecular weight of 287.00 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N,N-diethylpropanamide is sourced from PubChem (CID 86249575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).