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

C16H14I2N2O3 — CID 137066620

IUPAC4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1
InChIInChI=1S/C16H14I2N2O3/c1-2-23-13-5-3-10(4-6-13)16(22)20-19-9-11-7-12(17)8-14(18)15(11)21/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-
InChIKeyPBZPHHXULAWWIK-OCKHKDLRSA-N
MW536.11 g/mol
LogP3.76
Rot. Bonds5

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

4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (PubChem CID 137066620) has the molecular formula C16H14I2N2O3 and a molecular weight of 536.11 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
PubChem CID137066620
Molecular FormulaC16H14I2N2O3
Molecular Weight536.11 g/mol
Exact Mass535.91
IUPAC Name4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1
InChIInChI=1S/C16H14I2N2O3/c1-2-23-13-5-3-10(4-6-13)16(22)20-19-9-11-7-12(17)8-14(18)15(11)21/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-
InChIKeyPBZPHHXULAWWIK-OCKHKDLRSA-N
XLogP3.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.11
LogP ≤ 53.76
H-Bond Donors ≤ 52
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
CID 136848828
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 135479567
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136695790
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (CID 137066620) is 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The InChIKey is PBZPHHXULAWWIK-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14I2N2O3/c1-2-23-13-5-3-10(4-6-13)16(22)20-19-9-11-7-12(17)8-14(18)15(11)21/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-.
What are the key properties of 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide has a molecular weight of 536.11 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 137066620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).