4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

C14H10I2N2O3 — CID 135894860

IUPAC4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H10I2N2O3/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(19)4-2-8/h1-7,19-20H,(H,18,21)/b17-7-
InChIKeyZXSNDMANRIXIKJ-IDUWFGFVSA-N
MW508.05 g/mol
LogP3.07
Rot. Bonds3

About 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (PubChem CID 135894860) has the molecular formula C14H10I2N2O3 and a molecular weight of 508.05 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
PubChem CID135894860
Molecular FormulaC14H10I2N2O3
Molecular Weight508.05 g/mol
Exact Mass507.88
IUPAC Name4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H10I2N2O3/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(19)4-2-8/h1-7,19-20H,(H,18,21)/b17-7-
InChIKeyZXSNDMANRIXIKJ-IDUWFGFVSA-N
XLogP3.07
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.05
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
CID 136848828
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 3112408
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
CID 135715757
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
5-bromo-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162209
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (CID 135894860) is 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(I)cc(I)c1O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The InChIKey is ZXSNDMANRIXIKJ-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H10I2N2O3/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(19)4-2-8/h1-7,19-20H,(H,18,21)/b17-7-.
What are the key properties of 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide has a molecular weight of 508.05 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135894860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).