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

C14H10BrIN2O2 — CID 58811449

IUPAC5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(I)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrIN2O2/c15-10-4-5-13(19)12(7-10)14(20)18-17-8-9-2-1-3-11(16)6-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyUTESZTRTGMSQRE-CAOOACKPSA-N
MW445.05 g/mol
LogP3.52
Rot. Bonds3

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

5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide (PubChem CID 58811449) has the molecular formula C14H10BrIN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
PubChem CID58811449
Molecular FormulaC14H10BrIN2O2
Molecular Weight445.05 g/mol
Exact Mass443.90
IUPAC Name5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(I)c1)c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrIN2O2/c15-10-4-5-13(19)12(7-10)14(20)18-17-8-9-2-1-3-11(16)6-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyUTESZTRTGMSQRE-CAOOACKPSA-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': '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

N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 2253634
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
CID 6062036
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide (CID 58811449) is 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(I)c1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide?
The InChIKey is UTESZTRTGMSQRE-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrIN2O2/c15-10-4-5-13(19)12(7-10)14(20)18-17-8-9-2-1-3-11(16)6-9/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(E)-(3-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 5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 58811449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).