3-bromo-N,N-dimethylpropanamide

C5H10BrNO — CID 23033749

IUPAC3-bromo-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCBr
InChIInChI=1S/C5H10BrNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3
InChIKeyWIERPGZIHZSEPY-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.86
Rot. Bonds2

About 3-bromo-N,N-dimethylpropanamide

3-bromo-N,N-dimethylpropanamide (PubChem CID 23033749) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 3-bromo-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-bromo-N,N-dimethylpropanamide
PubChem CID23033749
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name3-bromo-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCBr
InChIInChI=1S/C5H10BrNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3
InChIKeyWIERPGZIHZSEPY-UHFFFAOYSA-N
XLogP0.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.86
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,2-trimethylpropanamide
CID 12475644
2-Bromo-N,N-dimethylbutanamide
CID 3016061
2,3-dibromo-N,N-dimethylpropanamide
CID 11299911
3-bromo-N-ethyl-N-methylpropanamide
CID 104190263
2-Bromo-N,N-dimethylpropanamide
CID 11367348
3-Bromo-n,n-diethylpropanamide
CID 226112
4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 122239593
(3R)-4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 129562732
(3S)-4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 129562733
4-bromo-N,N-dimethylbutanamide
CID 12078378
2,4-Dibromo-N,N-dimethylbutanamide
CID 14442300
3-Bromo-2-(bromomethyl)-N,N-dimethylpropanamide
CID 14442301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethylpropanamide?
The IUPAC name of 3-bromo-N,N-dimethylpropanamide (CID 23033749) is 3-bromo-N,N-dimethylpropanamide.
What is the SMILES notation for 3-bromo-N,N-dimethylpropanamide?
The canonical SMILES for 3-bromo-N,N-dimethylpropanamide is CN(C)C(=O)CCBr.
What is the InChIKey of 3-bromo-N,N-dimethylpropanamide?
The InChIKey is WIERPGZIHZSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3.
What are the key properties of 3-bromo-N,N-dimethylpropanamide?
3-bromo-N,N-dimethylpropanamide has a molecular weight of 180.04 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dimethylpropanamide is sourced from PubChem (CID 23033749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).