[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate

C24H20Cl2N2O4 — CID 44791031

IUPAC[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20Cl2N2O4/c25-19-10-13-22(21(26)15-19)31-14-4-7-23(29)28-27-16-17-8-11-20(12-9-17)32-24(30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,28,29)/b27-16+
InChIKeyHEJBSUXWHCLPGQ-JVWAILMASA-N
MW471.34 g/mol
LogP5.52
Rot. Bonds9

About [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate

[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate (PubChem CID 44791031) has the molecular formula C24H20Cl2N2O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
PubChem CID44791031
Molecular FormulaC24H20Cl2N2O4
Molecular Weight471.34 g/mol
Exact Mass470.08
IUPAC Name[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20Cl2N2O4/c25-19-10-13-22(21(26)15-19)31-14-4-7-23(29)28-27-16-17-8-11-20(12-9-17)32-24(30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,28,29)/b27-16+
InChIKeyHEJBSUXWHCLPGQ-JVWAILMASA-N
XLogP5.52
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6265022
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
CID 4090606
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
[4-[[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4636100
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3536655
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3649367
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate (CID 44791031) is [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate is O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is HEJBSUXWHCLPGQ-JVWAILMASA-N. The full InChI is InChI=1S/C24H20Cl2N2O4/c25-19-10-13-22(21(26)15-19)31-14-4-7-23(29)28-27-16-17-8-11-20(12-9-17)32-24(30)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,28,29)/b27-16+.
What are the key properties of [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate?
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 471.34 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 44791031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).