2,3-dibromo-N-butyl-N-methylpropanamide

C8H15Br2NO — CID 153408973

IUPAC2,3-dibromo-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)C(Br)CBr
InChIInChI=1S/C8H15Br2NO/c1-3-4-5-11(2)8(12)7(10)6-9/h7H,3-6H2,1-2H3
InChIKeySTKAVRZFZCKYQX-UHFFFAOYSA-N
MW301.02 g/mol
LogP2.40
Rot. Bonds5

About 2,3-dibromo-N-butyl-N-methylpropanamide

2,3-dibromo-N-butyl-N-methylpropanamide (PubChem CID 153408973) has the molecular formula C8H15Br2NO and a molecular weight of 301.02 g/mol. Its IUPAC name is 2,3-dibromo-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name2,3-dibromo-N-butyl-N-methylpropanamide
PubChem CID153408973
Molecular FormulaC8H15Br2NO
Molecular Weight301.02 g/mol
Exact Mass298.95
IUPAC Name2,3-dibromo-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)C(Br)CBr
InChIInChI=1S/C8H15Br2NO/c1-3-4-5-11(2)8(12)7(10)6-9/h7H,3-6H2,1-2H3
InChIKeySTKAVRZFZCKYQX-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 52.40
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

2-Bromo-N,N-dibutylacetamide
CID 3016161
2-Bromo-N,N-dimethylbutanamide
CID 3016061
1-(2-Bromopropanoyl)pyrrolidine
CID 566673
2,3-dibromo-N,N-dimethylpropanamide
CID 11299911
Propanamide, N,N-dibutyl-2-bromo-
CID 533067
3-bromo-N-ethyl-N-methylpropanamide
CID 104190263
2,3-Dibromo succnic acid N,N-diethylamide
CID 284856
3-Bromo-n,n-diethylpropanamide
CID 226112
Propanamide, N,N-dihexyl-2-bromo-
CID 533069
2-Bromo-n,n-diethylpropanamide
CID 219646
Bromobutanoic acid diiso propylamide
CID 13036616
2,3-Dibromo-1-piperidin-1-ylbutan-1-one
CID 134995699

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N-butyl-N-methylpropanamide?
The IUPAC name of 2,3-dibromo-N-butyl-N-methylpropanamide (CID 153408973) is 2,3-dibromo-N-butyl-N-methylpropanamide.
What is the SMILES notation for 2,3-dibromo-N-butyl-N-methylpropanamide?
The canonical SMILES for 2,3-dibromo-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N-butyl-N-methylpropanamide?
The InChIKey is STKAVRZFZCKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br2NO/c1-3-4-5-11(2)8(12)7(10)6-9/h7H,3-6H2,1-2H3.
What are the key properties of 2,3-dibromo-N-butyl-N-methylpropanamide?
2,3-dibromo-N-butyl-N-methylpropanamide has a molecular weight of 301.02 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-butyl-N-methylpropanamide is sourced from PubChem (CID 153408973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).