N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide

C13H7BrClFINO2 — CID 107731622

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(I)ccc1O
InChIInChI=1S/C13H7BrClFINO2/c14-9-3-6(16)4-10(15)12(9)18-13(20)8-5-7(17)1-2-11(8)19/h1-5,19H,(H,18,20)
InChIKeyZQPJWSFSRFFRTF-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731622) has the molecular formula C13H7BrClFINO2 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731622
Molecular FormulaC13H7BrClFINO2
Molecular Weight470.46 g/mol
Exact Mass468.84
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(I)ccc1O
InChIInChI=1S/C13H7BrClFINO2/c14-9-3-6(16)4-10(15)12(9)18-13(20)8-5-7(17)1-2-11(8)19/h1-5,19H,(H,18,20)
InChIKeyZQPJWSFSRFFRTF-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.80
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-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N-(4-fluoro-2-iodophenyl)-2-hydroxy-5-iodobenzamide
CID 107731604

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide (CID 107731622) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cc(I)ccc1O.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is ZQPJWSFSRFFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFINO2/c14-9-3-6(16)4-10(15)12(9)18-13(20)8-5-7(17)1-2-11(8)19/h1-5,19H,(H,18,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 470.46 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).