N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide

C24H22Cl2N2O3 — CID 6027125

IUPACN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-3-30-20-9-11-21(12-10-20)31-15-17-4-6-18(7-5-17)24(29)28-27-16(2)22-13-8-19(25)14-23(22)26/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-16-
InChIKeyZWYIFLOOQBHYLJ-YUMHPJSZSA-N
MW457.36 g/mol
LogP6.13
Rot. Bonds8

About N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide (PubChem CID 6027125) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
PubChem CID6027125
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-3-30-20-9-11-21(12-10-20)31-15-17-4-6-18(7-5-17)24(29)28-27-16(2)22-13-8-19(25)14-23(22)26/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-16-
InChIKeyZWYIFLOOQBHYLJ-YUMHPJSZSA-N
XLogP6.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 135842175
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 7230039
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
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
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
CID 4240116

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide (CID 6027125) is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide is CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
The InChIKey is ZWYIFLOOQBHYLJ-YUMHPJSZSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-3-30-20-9-11-21(12-10-20)31-15-17-4-6-18(7-5-17)24(29)28-27-16(2)22-13-8-19(25)14-23(22)26/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-16-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide?
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 6027125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).