2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide

C23H19Cl2IN2O4 — CID 135833086

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc(I)c1O
InChIInChI=1S/C23H19Cl2IN2O4/c1-2-31-21-10-14(9-19(26)22(21)29)12-27-28-23(30)17-5-3-4-6-20(17)32-13-15-7-8-16(24)11-18(15)25/h3-12,29H,2,13H2,1H3,(H,28,30)/b27-12+
InChIKeyOTMPNUUCSLLKDF-KKMKTNMSSA-N
MW585.23 g/mol
LogP6.05
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide (PubChem CID 135833086) has the molecular formula C23H19Cl2IN2O4 and a molecular weight of 585.23 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
PubChem CID135833086
Molecular FormulaC23H19Cl2IN2O4
Molecular Weight585.23 g/mol
Exact Mass583.98
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc(I)c1O
InChIInChI=1S/C23H19Cl2IN2O4/c1-2-31-21-10-14(9-19(26)22(21)29)12-27-28-23(30)17-5-3-4-6-20(17)32-13-15-7-8-16(24)11-18(15)25/h3-12,29H,2,13H2,1H3,(H,28,30)/b27-12+
InChIKeyOTMPNUUCSLLKDF-KKMKTNMSSA-N
XLogP6.05
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.23
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 19657560
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 19657624
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135579323
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135644310
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
2-bromo-N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 17245478
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
CID 17246204

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide (CID 135833086) is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc(I)c1O.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The InChIKey is OTMPNUUCSLLKDF-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H19Cl2IN2O4/c1-2-31-21-10-14(9-19(26)22(21)29)12-27-28-23(30)17-5-3-4-6-20(17)32-13-15-7-8-16(24)11-18(15)25/h3-12,29H,2,13H2,1H3,(H,28,30)/b27-12+.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide has a molecular weight of 585.23 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135833086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).