5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide

C13H9BrINO2 — CID 78783688

IUPAC5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H9BrINO2/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18)
InChIKeyJIUAEPZFYWNZJW-UHFFFAOYSA-N
MW418.03 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide

5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide (PubChem CID 78783688) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
PubChem CID78783688
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC Name5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(Br)ccc1I
InChIInChI=1S/C13H9BrINO2/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18)
InChIKeyJIUAEPZFYWNZJW-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.03
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
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
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide (CID 78783688) is 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide is O=C(Nc1cccc(O)c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide?
The InChIKey is JIUAEPZFYWNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-8-4-5-12(15)11(6-8)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18).
What are the key properties of 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide?
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide has a molecular weight of 418.03 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide is sourced from PubChem (CID 78783688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).