2,2,3-triiodo-N-methylpropanamide

C4H6I3NO — CID 119095901

IUPAC2,2,3-triiodo-N-methylpropanamide
SMILESCNC(=O)C(I)(I)CI
InChIInChI=1S/C4H6I3NO/c1-8-3(9)4(6,7)2-5/h2H2,1H3,(H,8,9)
InChIKeyKYQGGUVEURIKNY-UHFFFAOYSA-N
MW464.81 g/mol
LogP1.73
Rot. Bonds2

About 2,2,3-triiodo-N-methylpropanamide

2,2,3-triiodo-N-methylpropanamide (PubChem CID 119095901) has the molecular formula C4H6I3NO and a molecular weight of 464.81 g/mol. Its IUPAC name is 2,2,3-triiodo-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3-triiodo-N-methylpropanamide
PubChem CID119095901
Molecular FormulaC4H6I3NO
Molecular Weight464.81 g/mol
Exact Mass464.76
IUPAC Name2,2,3-triiodo-N-methylpropanamide
SMILESCNC(=O)C(I)(I)CI
InChIInChI=1S/C4H6I3NO/c1-8-3(9)4(6,7)2-5/h2H2,1H3,(H,8,9)
InChIKeyKYQGGUVEURIKNY-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.81
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3-triiodo-N-methylpropanamide 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-hydroxy-N,2-dimethylbutanamide
CID 22213750
3-chloro-2-(chloromethyl)-N,2-dimethylpropanamide
CID 137333173
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
2,2-difluoro-N-methyl-3-(methylamino)propanamide
CID 14093529
N,2,2,3-tetramethyl-3-(2-methylhydrazinyl)butanamide
CID 166963887
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
2,2-diethyl-N-methylhexadecanamide
CID 158971138
iodomethyl N-methylcarbamate
CID 88927146
N,2,2-trimethylhexanamide
CID 87705334
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433

Frequently Asked Questions

What is the IUPAC name of 2,2,3-triiodo-N-methylpropanamide?
The IUPAC name of 2,2,3-triiodo-N-methylpropanamide (CID 119095901) is 2,2,3-triiodo-N-methylpropanamide.
What is the SMILES notation for 2,2,3-triiodo-N-methylpropanamide?
The canonical SMILES for 2,2,3-triiodo-N-methylpropanamide is CNC(=O)C(I)(I)CI.
What is the InChIKey of 2,2,3-triiodo-N-methylpropanamide?
The InChIKey is KYQGGUVEURIKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I3NO/c1-8-3(9)4(6,7)2-5/h2H2,1H3,(H,8,9).
What are the key properties of 2,2,3-triiodo-N-methylpropanamide?
2,2,3-triiodo-N-methylpropanamide has a molecular weight of 464.81 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triiodo-N-methylpropanamide is sourced from PubChem (CID 119095901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).