N,N-dibromobutanamide

C4H7Br2NO — CID 154147629

IUPACN,N-dibromobutanamide
SMILESCCCC(=O)N(Br)Br
InChIInChI=1S/C4H7Br2NO/c1-2-3-4(8)7(5)6/h2-3H2,1H3
InChIKeyMWYXWTKAXFIAGK-UHFFFAOYSA-N
MW244.91 g/mol
LogP2.23
Rot. Bonds2

About N,N-dibromobutanamide

N,N-dibromobutanamide (PubChem CID 154147629) has the molecular formula C4H7Br2NO and a molecular weight of 244.91 g/mol. Its IUPAC name is N,N-dibromobutanamide.

Molecular Properties

Compound NameN,N-dibromobutanamide
PubChem CID154147629
Molecular FormulaC4H7Br2NO
Molecular Weight244.91 g/mol
Exact Mass242.89
IUPAC NameN,N-dibromobutanamide
SMILESCCCC(=O)N(Br)Br
InChIInChI=1S/C4H7Br2NO/c1-2-3-4(8)7(5)6/h2-3H2,1H3
InChIKeyMWYXWTKAXFIAGK-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.91
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylbutanamide;hydrochloride
CID 87498306
N-(dimethylcarbamoyl)-N-methylbutanamide
CID 178179553
N,N-di(heptan-4-yl)butanamide
CID 89281674
CID 18739109
CID 18739109
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N-acetyl-N-methylbutanamide
CID 142271883
N-formyl-N-methoxybutanamide
CID 89360816
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-propylbutanehydrazide
CID 165487733
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-heptan-4-yl-N-pentan-2-ylbutanamide
CID 89281529
N,N-bis(methoxymethyl)butanamide
CID 59789167

Frequently Asked Questions

What is the IUPAC name of N,N-dibromobutanamide?
The IUPAC name of N,N-dibromobutanamide (CID 154147629) is N,N-dibromobutanamide.
What is the SMILES notation for N,N-dibromobutanamide?
The canonical SMILES for N,N-dibromobutanamide is CCCC(=O)N(Br)Br.
What is the InChIKey of N,N-dibromobutanamide?
The InChIKey is MWYXWTKAXFIAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br2NO/c1-2-3-4(8)7(5)6/h2-3H2,1H3.
What are the key properties of N,N-dibromobutanamide?
N,N-dibromobutanamide has a molecular weight of 244.91 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibromobutanamide is sourced from PubChem (CID 154147629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).