2-bromo-N'-methylacetohydrazide

C3H7BrN2O — CID 118150932

IUPAC2-bromo-N'-methylacetohydrazide
SMILESCNNC(=O)CBr
InChIInChI=1S/C3H7BrN2O/c1-5-6-3(7)2-4/h5H,2H2,1H3,(H,6,7)
InChIKeyFJIBFBQXFABVFK-UHFFFAOYSA-N
MW167.01 g/mol
LogP-0.37
Rot. Bonds2

About 2-bromo-N'-methylacetohydrazide

2-bromo-N'-methylacetohydrazide (PubChem CID 118150932) has the molecular formula C3H7BrN2O and a molecular weight of 167.01 g/mol. Its IUPAC name is 2-bromo-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-bromo-N'-methylacetohydrazide
PubChem CID118150932
Molecular FormulaC3H7BrN2O
Molecular Weight167.01 g/mol
Exact Mass165.97
IUPAC Name2-bromo-N'-methylacetohydrazide
SMILESCNNC(=O)CBr
InChIInChI=1S/C3H7BrN2O/c1-5-6-3(7)2-4/h5H,2H2,1H3,(H,6,7)
InChIKeyFJIBFBQXFABVFK-UHFFFAOYSA-N
XLogP-0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.01
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N'-methylacetohydrazide 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

3-bromo-N-methylpropanamide
CID 23033748
N-[2-(2-methylhydrazinyl)-2-oxoethyl]formamide
CID 145297208
2-bromo-N-sulfanylacetamide
CID 58969789
N'-methyl-2-propan-2-yloxyacetohydrazide
CID 116820653
N',5-dimethylhexanehydrazide
CID 116846298
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
5-bromo-N-methylpentanamide
CID 19971018
N-(2-bromoethyl)-3-oxobutanamide
CID 21454933
2-bromo-N-(iodomethyl)acetamide
CID 89129091
1-bromopropan-2-one;ethane
CID 171800976
ethane;tris(pentane-2,4-dione)
CID 158826280

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-methylacetohydrazide?
The IUPAC name of 2-bromo-N'-methylacetohydrazide (CID 118150932) is 2-bromo-N'-methylacetohydrazide.
What is the SMILES notation for 2-bromo-N'-methylacetohydrazide?
The canonical SMILES for 2-bromo-N'-methylacetohydrazide is CNNC(=O)CBr.
What is the InChIKey of 2-bromo-N'-methylacetohydrazide?
The InChIKey is FJIBFBQXFABVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrN2O/c1-5-6-3(7)2-4/h5H,2H2,1H3,(H,6,7).
What are the key properties of 2-bromo-N'-methylacetohydrazide?
2-bromo-N'-methylacetohydrazide has a molecular weight of 167.01 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-methylacetohydrazide is sourced from PubChem (CID 118150932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).