3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide

C14H10BrIN2O2 — CID 135905942

IUPAC3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrIN2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(16)4-5-13(10)19/h1-8,19H,(H,18,20)/b17-8-
InChIKeyIUYHGIGNCSTVLE-IUXPMGMMSA-N
MW445.05 g/mol
LogP3.52
Rot. Bonds3

About 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide

3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide (PubChem CID 135905942) has the molecular formula C14H10BrIN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
PubChem CID135905942
Molecular FormulaC14H10BrIN2O2
Molecular Weight445.05 g/mol
Exact Mass443.90
IUPAC Name3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrIN2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(16)4-5-13(10)19/h1-8,19H,(H,18,20)/b17-8-
InChIKeyIUYHGIGNCSTVLE-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_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

5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
N-[(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 3600864
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 2253634
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide (CID 135905942) is 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(I)ccc1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The InChIKey is IUYHGIGNCSTVLE-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10BrIN2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(16)4-5-13(10)19/h1-8,19H,(H,18,20)/b17-8-.
What are the key properties of 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide 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 3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135905942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).