[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate

C23H17Cl3N2O4 — CID 6109352

IUPAC[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl3N2O4/c1-2-31-21-10-14(13-27-28-22(29)15-4-3-5-16(24)11-15)6-9-20(21)32-23(30)18-8-7-17(25)12-19(18)26/h3-13H,2H2,1H3,(H,28,29)/b27-13-
InChIKeyRURFNIUEJIBZDL-WKIKZPBSSA-N
MW491.76 g/mol
LogP6.03
Rot. Bonds7

About [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate

[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate (PubChem CID 6109352) has the molecular formula C23H17Cl3N2O4 and a molecular weight of 491.76 g/mol. Its IUPAC name is [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
PubChem CID6109352
Molecular FormulaC23H17Cl3N2O4
Molecular Weight491.76 g/mol
Exact Mass490.03
IUPAC Name[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl3N2O4/c1-2-31-21-10-14(13-27-28-22(29)15-4-3-5-16(24)11-15)6-9-20(21)32-23(30)18-8-7-17(25)12-19(18)26/h3-13H,2H2,1H3,(H,28,29)/b27-13-
InChIKeyRURFNIUEJIBZDL-WKIKZPBSSA-N
XLogP6.03
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.76
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-ethoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3680852
[4-[(carbamoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 4156019
[2-ethoxy-4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 51060422
[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 126003202
[2-methoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3516860
[4-[[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 4990186
[4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 3346726
[2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3860016
[2-ethoxy-4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6116772
[2-ethoxy-4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3459924
[4-[(decanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 4140839
[2-ethoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3857026

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate (CID 6109352) is [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate is CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?
The InChIKey is RURFNIUEJIBZDL-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H17Cl3N2O4/c1-2-31-21-10-14(13-27-28-22(29)15-4-3-5-16(24)11-15)6-9-20(21)32-23(30)18-8-7-17(25)12-19(18)26/h3-13H,2H2,1H3,(H,28,29)/b27-13-.
What are the key properties of [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate has a molecular weight of 491.76 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 6109352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).