N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide

C13H9BrINO2 — CID 5090164

IUPACN-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(O)c(Br)c1)c1ccccc1I
InChIInChI=1S/C13H9BrINO2/c14-10-7-8(5-6-12(10)17)16-13(18)9-3-1-2-4-11(9)15/h1-7,17H,(H,16,18)
InChIKeyIXHYTAPWEOULTK-UHFFFAOYSA-N
MW418.03 g/mol
LogP4.01
Rot. Bonds2

About N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide

N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide (PubChem CID 5090164) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
PubChem CID5090164
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC NameN-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(O)c(Br)c1)c1ccccc1I
InChIInChI=1S/C13H9BrINO2/c14-10-7-8(5-6-12(10)17)16-13(18)9-3-1-2-4-11(9)15/h1-7,17H,(H,16,18)
InChIKeyIXHYTAPWEOULTK-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide?
The IUPAC name of N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide (CID 5090164) is N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide?
The canonical SMILES for N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide is O=C(Nc1ccc(O)c(Br)c1)c1ccccc1I.
What is the InChIKey of N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide?
The InChIKey is IXHYTAPWEOULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-10-7-8(5-6-12(10)17)16-13(18)9-3-1-2-4-11(9)15/h1-7,17H,(H,16,18).
What are the key properties of N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide?
N-(3-bromo-4-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 N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide is sourced from PubChem (CID 5090164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).