2-benzamido-2,2-diiodoacetyl iodide

C9H6I3NO2 — CID 168873190

IUPAC2-benzamido-2,2-diiodoacetyl iodide
SMILESO=C(NC(I)(I)C(=O)I)c1ccccc1
InChIInChI=1S/C9H6I3NO2/c10-8(15)9(11,12)13-7(14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyCUQJEYSIENVTJD-UHFFFAOYSA-N
MW540.86 g/mol
LogP2.90
Rot. Bonds3

About 2-benzamido-2,2-diiodoacetyl iodide

2-benzamido-2,2-diiodoacetyl iodide (PubChem CID 168873190) has the molecular formula C9H6I3NO2 and a molecular weight of 540.86 g/mol. Its IUPAC name is 2-benzamido-2,2-diiodoacetyl iodide.

Molecular Properties

Compound Name2-benzamido-2,2-diiodoacetyl iodide
PubChem CID168873190
Molecular FormulaC9H6I3NO2
Molecular Weight540.86 g/mol
Exact Mass540.75
IUPAC Name2-benzamido-2,2-diiodoacetyl iodide
SMILESO=C(NC(I)(I)C(=O)I)c1ccccc1
InChIInChI=1S/C9H6I3NO2/c10-8(15)9(11,12)13-7(14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyCUQJEYSIENVTJD-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzamido-2,2-diiodoacetyl iodide 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

N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
Lithium benzoate, 99%
CID 57451198
N',N'-dibenzamidobenzohydrazide
CID 91211036
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
N-(5-methyldodecan-5-yl)benzamide
CID 130355979
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2,2-diiodoacetyl iodide?
The IUPAC name of 2-benzamido-2,2-diiodoacetyl iodide (CID 168873190) is 2-benzamido-2,2-diiodoacetyl iodide.
What is the SMILES notation for 2-benzamido-2,2-diiodoacetyl iodide?
The canonical SMILES for 2-benzamido-2,2-diiodoacetyl iodide is O=C(NC(I)(I)C(=O)I)c1ccccc1.
What is the InChIKey of 2-benzamido-2,2-diiodoacetyl iodide?
The InChIKey is CUQJEYSIENVTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6I3NO2/c10-8(15)9(11,12)13-7(14)6-4-2-1-3-5-6/h1-5H,(H,13,14).
What are the key properties of 2-benzamido-2,2-diiodoacetyl iodide?
2-benzamido-2,2-diiodoacetyl iodide has a molecular weight of 540.86 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2,2-diiodoacetyl iodide is sourced from PubChem (CID 168873190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).