N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide

C24H22Cl2N2O4 — CID 135842175

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3O)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O4/c1-3-31-19-8-10-20(11-9-19)32-14-16-4-6-17(7-5-16)24(30)28-27-15(2)21-12-18(25)13-22(26)23(21)29/h4-13,29H,3,14H2,1-2H3,(H,28,30)/b27-15+
InChIKeyKTZPEVLFEZLZJT-JFLMPSFJSA-N
MW473.36 g/mol
LogP5.83
Rot. Bonds8

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide (PubChem CID 135842175) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
PubChem CID135842175
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3O)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O4/c1-3-31-19-8-10-20(11-9-19)32-14-16-4-6-17(7-5-16)24(30)28-27-15(2)21-12-18(25)13-22(26)23(21)29/h4-13,29H,3,14H2,1-2H3,(H,28,30)/b27-15+
InChIKeyKTZPEVLFEZLZJT-JFLMPSFJSA-N
XLogP5.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-ethoxybenzenesulfonamide
CID 135683893
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135613550
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide (CID 135842175) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide is CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3O)cc2)cc1.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The InChIKey is KTZPEVLFEZLZJT-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c1-3-31-19-8-10-20(11-9-19)32-14-16-4-6-17(7-5-16)24(30)28-27-15(2)21-12-18(25)13-22(26)23(21)29/h4-13,29H,3,14H2,1-2H3,(H,28,30)/b27-15+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 135842175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).