5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide

C13H7Cl2I2NO — CID 114030741

IUPAC5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc(Cl)ccc1I
InChIInChI=1S/C13H7Cl2I2NO/c14-7-1-3-10(16)9(5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyYNKONNNPMUNXHB-UHFFFAOYSA-N
MW517.92 g/mol
LogP5.45
Rot. Bonds2

About 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide

5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide (PubChem CID 114030741) has the molecular formula C13H7Cl2I2NO and a molecular weight of 517.92 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
PubChem CID114030741
Molecular FormulaC13H7Cl2I2NO
Molecular Weight517.92 g/mol
Exact Mass516.80
IUPAC Name5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc(Cl)ccc1I
InChIInChI=1S/C13H7Cl2I2NO/c14-7-1-3-10(16)9(5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyYNKONNNPMUNXHB-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.92
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide 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

5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide (CID 114030741) is 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide is O=C(Nc1ccc(Cl)cc1I)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide?
The InChIKey is YNKONNNPMUNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2I2NO/c14-7-1-3-10(16)9(5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide?
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide has a molecular weight of 517.92 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide is sourced from PubChem (CID 114030741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).