5-bromo-2-iodo-N-(3-iodophenyl)benzamide

C13H8BrI2NO — CID 103600021

IUPAC5-bromo-2-iodo-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H8BrI2NO/c14-8-4-5-12(16)11(6-8)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18)
InChIKeyPMGAUHKJEPTYLK-UHFFFAOYSA-N
MW527.93 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-2-iodo-N-(3-iodophenyl)benzamide

5-bromo-2-iodo-N-(3-iodophenyl)benzamide (PubChem CID 103600021) has the molecular formula C13H8BrI2NO and a molecular weight of 527.93 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(3-iodophenyl)benzamide
PubChem CID103600021
Molecular FormulaC13H8BrI2NO
Molecular Weight527.93 g/mol
Exact Mass526.79
IUPAC Name5-bromo-2-iodo-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H8BrI2NO/c14-8-4-5-12(16)11(6-8)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18)
InChIKeyPMGAUHKJEPTYLK-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.93
LogP ≤ 54.91
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

5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34749980
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide
CID 168875364
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(3-iodophenyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(3-iodophenyl)benzamide (CID 103600021) is 5-bromo-2-iodo-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(3-iodophenyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(3-iodophenyl)benzamide is O=C(Nc1cccc(I)c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(3-iodophenyl)benzamide?
The InChIKey is PMGAUHKJEPTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrI2NO/c14-8-4-5-12(16)11(6-8)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18).
What are the key properties of 5-bromo-2-iodo-N-(3-iodophenyl)benzamide?
5-bromo-2-iodo-N-(3-iodophenyl)benzamide has a molecular weight of 527.93 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 103600021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).