N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide

C14H10BrIN2O2 — CID 137020316

IUPACN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1cccc(I)c1
InChIInChI=1S/C14H10BrIN2O2/c15-12-6-9(4-5-13(12)19)8-17-18-14(20)10-2-1-3-11(16)7-10/h1-8,19H,(H,18,20)/b17-8-
InChIKeyRJMUBYPIRTVTTO-IUXPMGMMSA-N
MW445.05 g/mol
LogP3.52
Rot. Bonds3

About N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide

N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide (PubChem CID 137020316) has the molecular formula C14H10BrIN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
PubChem CID137020316
Molecular FormulaC14H10BrIN2O2
Molecular Weight445.05 g/mol
Exact Mass443.90
IUPAC NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1cccc(I)c1
InChIInChI=1S/C14H10BrIN2O2/c15-12-6-9(4-5-13(12)19)8-17-18-14(20)10-2-1-3-11(16)7-10/h1-8,19H,(H,18,20)/b17-8-
InChIKeyRJMUBYPIRTVTTO-IUXPMGMMSA-N
XLogP3.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.05
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3943959
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
2-bromo-N-[4-[[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135419971
N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
CID 45124779

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide (CID 137020316) is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide is O=C(N/N=C\c1ccc(O)c(Br)c1)c1cccc(I)c1.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The InChIKey is RJMUBYPIRTVTTO-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10BrIN2O2/c15-12-6-9(4-5-13(12)19)8-17-18-14(20)10-2-1-3-11(16)7-10/h1-8,19H,(H,18,20)/b17-8-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide has a molecular weight of 445.05 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 137020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).