N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide

C14H9Br2IN2O2 — CID 2247557

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccccc1I
InChIInChI=1S/C14H9Br2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyINYOMAYSTMVUKU-UHFFFAOYSA-N
MW523.95 g/mol
LogP4.29
Rot. Bonds3

About N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 2247557) has the molecular formula C14H9Br2IN2O2 and a molecular weight of 523.95 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID2247557
Molecular FormulaC14H9Br2IN2O2
Molecular Weight523.95 g/mol
Exact Mass521.81
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccccc1I
InChIInChI=1S/C14H9Br2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyINYOMAYSTMVUKU-UHFFFAOYSA-N
XLogP4.29
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.95
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
CID 137035120
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (CID 2247557) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide is O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccccc1I.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is INYOMAYSTMVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 523.95 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 2247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).