4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide

C13H9BrINO2 — CID 113342592

IUPAC4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H9BrINO2/c14-11-5-4-8(6-12(11)17)13(18)16-10-3-1-2-9(15)7-10/h1-7,17H,(H,16,18)
InChIKeyJBPAYBQPCUSNDZ-UHFFFAOYSA-N
MW418.03 g/mol
LogP4.01
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide

4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide (PubChem CID 113342592) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
PubChem CID113342592
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC Name4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H9BrINO2/c14-11-5-4-8(6-12(11)17)13(18)16-10-3-1-2-9(15)7-10/h1-7,17H,(H,16,18)
InChIKeyJBPAYBQPCUSNDZ-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

N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
3,6-dibromo-2-hydroxy-N-(3-iodophenyl)benzamide
CID 46214980
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide (CID 113342592) is 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide is O=C(Nc1cccc(I)c1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide?
The InChIKey is JBPAYBQPCUSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-11-5-4-8(6-12(11)17)13(18)16-10-3-1-2-9(15)7-10/h1-7,17H,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide?
4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide 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 4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 113342592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).