[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate

C29H20Cl2N2O6 — CID 6265022

IUPAC[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C29H20Cl2N2O6/c30-22-12-14-25(24(31)15-22)37-18-27(34)33-32-17-21-11-13-23(38-28(35)19-7-3-1-4-8-19)16-26(21)39-29(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,33,34)/b32-17-
InChIKeyYQYHXKFWJRQGJU-KYHGBAKBSA-N
MW563.39 g/mol
LogP5.96
Rot. Bonds9

About [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate

[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 6265022) has the molecular formula C29H20Cl2N2O6 and a molecular weight of 563.39 g/mol. Its IUPAC name is [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID6265022
Molecular FormulaC29H20Cl2N2O6
Molecular Weight563.39 g/mol
Exact Mass562.07
IUPAC Name[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C29H20Cl2N2O6/c30-22-12-14-25(24(31)15-22)37-18-27(34)33-32-17-21-11-13-23(38-28(35)19-7-3-1-4-8-19)16-26(21)39-29(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,33,34)/b32-17-
InChIKeyYQYHXKFWJRQGJU-KYHGBAKBSA-N
XLogP5.96
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.39
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]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-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 45055304
[4-bromo-2-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 3973444
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6027022
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 6058007
[3-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 45054818
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3649367
[1-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 4147096
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 3789851

Frequently Asked Questions

What is the IUPAC name of [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate (CID 6265022) is [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1.
What is the InChIKey of [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is YQYHXKFWJRQGJU-KYHGBAKBSA-N. The full InChI is InChI=1S/C29H20Cl2N2O6/c30-22-12-14-25(24(31)15-22)37-18-27(34)33-32-17-21-11-13-23(38-28(35)19-7-3-1-4-8-19)16-26(21)39-29(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,33,34)/b32-17-.
What are the key properties of [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
[3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 563.39 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyloxy-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 6265022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).