N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide

C13H8BrClINO2 — CID 107731654

IUPACN-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1cc(I)ccc1O
InChIInChI=1S/C13H8BrClINO2/c14-7-1-3-11(10(15)5-7)17-13(19)9-6-8(16)2-4-12(9)18/h1-6,18H,(H,17,19)
InChIKeyHVTQVBSESVDGEM-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.66
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide

N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731654) has the molecular formula C13H8BrClINO2 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731654
Molecular FormulaC13H8BrClINO2
Molecular Weight452.47 g/mol
Exact Mass450.85
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1cc(I)ccc1O
InChIInChI=1S/C13H8BrClINO2/c14-7-1-3-11(10(15)5-7)17-13(19)9-6-8(16)2-4-12(9)18/h1-6,18H,(H,17,19)
InChIKeyHVTQVBSESVDGEM-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.66
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-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide (CID 107731654) is N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide is O=C(Nc1ccc(Br)cc1Cl)c1cc(I)ccc1O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is HVTQVBSESVDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClINO2/c14-7-1-3-11(10(15)5-7)17-13(19)9-6-8(16)2-4-12(9)18/h1-6,18H,(H,17,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide?
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 452.47 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).