N-(bromomethyl)acetamide

C3H6BrNO — CID 22970413

IUPACN-(bromomethyl)acetamide
SMILESCC(=O)NCBr
InChIInChI=1S/C3H6BrNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)
InChIKeyJSZJAUWFAFGOET-UHFFFAOYSA-N
MW151.99 g/mol
LogP0.47
Rot. Bonds1

About N-(bromomethyl)acetamide

N-(bromomethyl)acetamide (PubChem CID 22970413) has the molecular formula C3H6BrNO and a molecular weight of 151.99 g/mol. Its IUPAC name is N-(bromomethyl)acetamide.

Molecular Properties

Compound NameN-(bromomethyl)acetamide
PubChem CID22970413
Molecular FormulaC3H6BrNO
Molecular Weight151.99 g/mol
Exact Mass150.96
IUPAC NameN-(bromomethyl)acetamide
SMILESCC(=O)NCBr
InChIInChI=1S/C3H6BrNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)
InChIKeyJSZJAUWFAFGOET-UHFFFAOYSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.99
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
benzene;ethane;N-ethylacetamide
CID 90871799
ethane;N-(2-methylpropyl)acetamide
CID 142232237
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N-(fluoromethyl)acetamide
CID 90974509
N-(3-acetamidopropyl)acetamide
CID 5147555
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
CID 138631206
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
ethane;tris(pentane-2,4-dione)
CID 158826280

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)acetamide?
The IUPAC name of N-(bromomethyl)acetamide (CID 22970413) is N-(bromomethyl)acetamide.
What is the SMILES notation for N-(bromomethyl)acetamide?
The canonical SMILES for N-(bromomethyl)acetamide is CC(=O)NCBr.
What is the InChIKey of N-(bromomethyl)acetamide?
The InChIKey is JSZJAUWFAFGOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6).
What are the key properties of N-(bromomethyl)acetamide?
N-(bromomethyl)acetamide has a molecular weight of 151.99 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)acetamide is sourced from PubChem (CID 22970413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).