N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide

C13H9BrINO2 — CID 104627291

IUPACN-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(I)c(O)c1
InChIInChI=1S/C13H9BrINO2/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-10(15)12(17)7-8/h1-7,17H,(H,16,18)
InChIKeyPDYJHNUJLPJHMS-UHFFFAOYSA-N
MW418.03 g/mol
LogP4.01
Rot. Bonds2

About N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide

N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627291) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627291
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC NameN-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(I)c(O)c1
InChIInChI=1S/C13H9BrINO2/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-10(15)12(17)7-8/h1-7,17H,(H,16,18)
InChIKeyPDYJHNUJLPJHMS-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

4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
CID 104629586
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide (CID 104627291) is N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide is O=C(Nc1ccccc1Br)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is PDYJHNUJLPJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-10(15)12(17)7-8/h1-7,17H,(H,16,18).
What are the key properties of N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide?
N-(2-bromophenyl)-3-hydroxy-4-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 N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).