N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide

C15H13BrINO2 — CID 104629754

IUPACN-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C15H13BrINO2/c1-2-9-7-11(16)4-6-13(9)18-15(20)10-3-5-12(17)14(19)8-10/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyVQORLNKJYNEFAZ-UHFFFAOYSA-N
MW446.08 g/mol
LogP4.57
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide

N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104629754) has the molecular formula C15H13BrINO2 and a molecular weight of 446.08 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104629754
Molecular FormulaC15H13BrINO2
Molecular Weight446.08 g/mol
Exact Mass444.92
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C15H13BrINO2/c1-2-9-7-11(16)4-6-13(9)18-15(20)10-3-5-12(17)14(19)8-10/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyVQORLNKJYNEFAZ-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.08
LogP ≤ 54.57
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-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
N-(4-bromo-2-ethylphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 50739996
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide (CID 104629754) is N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide is CCc1cc(Br)ccc1NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is VQORLNKJYNEFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO2/c1-2-9-7-11(16)4-6-13(9)18-15(20)10-3-5-12(17)14(19)8-10/h3-8,19H,2H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide?
N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 446.08 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104629754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).