[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C23H18Cl2N2O4 — CID 3785640

IUPAC[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCCOc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H18Cl2N2O4/c1-2-30-18-9-6-16(7-10-18)22(28)27-26-14-15-4-3-5-19(12-15)31-23(29)20-11-8-17(24)13-21(20)25/h3-14H,2H2,1H3,(H,27,28)
InChIKeyISVFOESNGUIHTN-UHFFFAOYSA-N
MW457.31 g/mol
LogP5.38
Rot. Bonds7

About [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 3785640) has the molecular formula C23H18Cl2N2O4 and a molecular weight of 457.31 g/mol. Its IUPAC name is [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID3785640
Molecular FormulaC23H18Cl2N2O4
Molecular Weight457.31 g/mol
Exact Mass456.06
IUPAC Name[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCCOc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H18Cl2N2O4/c1-2-30-18-9-6-16(7-10-18)22(28)27-26-14-15-4-3-5-19(12-15)31-23(29)20-11-8-17(24)13-21(20)25/h3-14H,2H2,1H3,(H,27,28)
InChIKeyISVFOESNGUIHTN-UHFFFAOYSA-N
XLogP5.38
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 55.38
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'}

Analyze [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate with MolForge

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Related Compounds

[3-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3778082
[3-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4101805
[3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6174146
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[2-ethoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3680852
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 6109352
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
[3-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 45054818
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
[3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 51060284
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 3785640) is [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is CCOc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is ISVFOESNGUIHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4/c1-2-30-18-9-6-16(7-10-18)22(28)27-26-14-15-4-3-5-19(12-15)31-23(29)20-11-8-17(24)13-21(20)25/h3-14H,2H2,1H3,(H,27,28).
What are the key properties of [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 457.31 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 3785640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).