3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide

C13H6ClI4NO — CID 103221386

IUPAC3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6ClI4NO/c14-8-3-6(1-2-9(8)16)13(20)19-12-10(17)4-7(15)5-11(12)18/h1-5H,(H,19,20)
InChIKeyVPECYQNEYOSBLL-UHFFFAOYSA-N
MW735.27 g/mol
LogP6.01
Rot. Bonds2

About 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide

3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide (PubChem CID 103221386) has the molecular formula C13H6ClI4NO and a molecular weight of 735.27 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
PubChem CID103221386
Molecular FormulaC13H6ClI4NO
Molecular Weight735.27 g/mol
Exact Mass734.63
IUPAC Name3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
SMILESO=C(Nc1c(I)cc(I)cc1I)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H6ClI4NO/c14-8-3-6(1-2-9(8)16)13(20)19-12-10(17)4-7(15)5-11(12)18/h1-5H,(H,19,20)
InChIKeyVPECYQNEYOSBLL-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
CID 103220871
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103736115

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide (CID 103221386) is 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide is O=C(Nc1c(I)cc(I)cc1I)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide?
The InChIKey is VPECYQNEYOSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClI4NO/c14-8-3-6(1-2-9(8)16)13(20)19-12-10(17)4-7(15)5-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide?
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide has a molecular weight of 735.27 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide is sourced from PubChem (CID 103221386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).