2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide

C23H19ClI2N2O3 — CID 19657270

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1I
InChIInChI=1S/C23H19ClI2N2O3/c1-2-30-22-19(25)11-15(12-20(22)26)13-27-28-23(29)17-8-4-6-10-21(17)31-14-16-7-3-5-9-18(16)24/h3-13H,2,14H2,1H3,(H,28,29)/b27-13+
InChIKeyGZWUBTGFOYLKIM-UVHMKAGCSA-N
MW660.68 g/mol
LogP6.29
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide

2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide (PubChem CID 19657270) has the molecular formula C23H19ClI2N2O3 and a molecular weight of 660.68 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
PubChem CID19657270
Molecular FormulaC23H19ClI2N2O3
Molecular Weight660.68 g/mol
Exact Mass659.92
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1I
InChIInChI=1S/C23H19ClI2N2O3/c1-2-30-22-19(25)11-15(12-20(22)26)13-27-28-23(29)17-8-4-6-10-21(17)31-14-16-7-3-5-9-18(16)24/h3-13H,2,14H2,1H3,(H,28,29)/b27-13+
InChIKeyGZWUBTGFOYLKIM-UVHMKAGCSA-N
XLogP6.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.68
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-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

2-[(2-chlorophenyl)methoxy]-N-[(E)-(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19657256
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380130
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 19657624
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126323803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide (CID 19657270) is 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide is CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1I.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide?
The InChIKey is GZWUBTGFOYLKIM-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H19ClI2N2O3/c1-2-30-22-19(25)11-15(12-20(22)26)13-27-28-23(29)17-8-4-6-10-21(17)31-14-16-7-3-5-9-18(16)24/h3-13H,2,14H2,1H3,(H,28,29)/b27-13+.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide has a molecular weight of 660.68 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 19657270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).