2-bromo-N-[2-(dimethylamino)propyl]acetamide

C7H15BrN2O — CID 63679918

IUPAC2-bromo-N-[2-(dimethylamino)propyl]acetamide
SMILESCC(CNC(=O)CBr)N(C)C
InChIInChI=1S/C7H15BrN2O/c1-6(10(2)3)5-9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyZSLHVDJBVWTMHZ-UHFFFAOYSA-N
MW223.11 g/mol
LogP0.45
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)propyl]acetamide

2-bromo-N-[2-(dimethylamino)propyl]acetamide (PubChem CID 63679918) has the molecular formula C7H15BrN2O and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)propyl]acetamide
PubChem CID63679918
Molecular FormulaC7H15BrN2O
Molecular Weight223.11 g/mol
Exact Mass222.04
IUPAC Name2-bromo-N-[2-(dimethylamino)propyl]acetamide
SMILESCC(CNC(=O)CBr)N(C)C
InChIInChI=1S/C7H15BrN2O/c1-6(10(2)3)5-9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyZSLHVDJBVWTMHZ-UHFFFAOYSA-N
XLogP0.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-(dimethylamino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
N-[2-(dimethylamino)propyl]but-2-ynamide
CID 130725758
N-[2-(dimethylamino)propyl]-2-piperidin-4-yloxyacetamide
CID 63877258
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(dimethylamino)-4-methylpentanamide
CID 88872227
2-bromo-N-[(2-methylpropylamino)methyl]acetamide
CID 142215983
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
2-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431503
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]acetamide (CID 63679918) is 2-bromo-N-[2-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)propyl]acetamide is CC(CNC(=O)CBr)N(C)C.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)propyl]acetamide?
The InChIKey is ZSLHVDJBVWTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O/c1-6(10(2)3)5-9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 2-bromo-N-[2-(dimethylamino)propyl]acetamide?
2-bromo-N-[2-(dimethylamino)propyl]acetamide has a molecular weight of 223.11 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 63679918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).