[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

C29H20Cl2N2O6 — CID 4646056

IUPAC[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H20Cl2N2O6/c1-37-24-13-6-18(7-14-24)27(34)33-32-17-21-8-15-25(38-28(35)19-2-9-22(30)10-3-19)16-26(21)39-29(36)20-4-11-23(31)12-5-20/h2-17H,1H3,(H,33,34)
InChIKeyHMZYFJDQRMHYIT-UHFFFAOYSA-N
MW563.39 g/mol
LogP6.20
Rot. Bonds8

About [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (PubChem CID 4646056) has the molecular formula C29H20Cl2N2O6 and a molecular weight of 563.39 g/mol. Its IUPAC name is [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
PubChem CID4646056
Molecular FormulaC29H20Cl2N2O6
Molecular Weight563.39 g/mol
Exact Mass562.07
IUPAC Name[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H20Cl2N2O6/c1-37-24-13-6-18(7-14-24)27(34)33-32-17-21-8-15-25(38-28(35)19-2-9-22(30)10-3-19)16-26(21)39-29(36)20-4-11-23(31)12-5-20/h2-17H,1H3,(H,33,34)
InChIKeyHMZYFJDQRMHYIT-UHFFFAOYSA-N
XLogP6.20
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.39
LogP ≤ 56.20
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'}

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Related Compounds

[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 4079306
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6271069
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6027022
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-chlorobenzoate
CID 126223684
[3-benzoyloxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4530969
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate
CID 5435092
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6182484
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 3763073
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
[3-benzoyloxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5106665
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
[3-(4-chlorobenzoyl)oxy-4-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3584872

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (CID 4646056) is [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The InChIKey is HMZYFJDQRMHYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N2O6/c1-37-24-13-6-18(7-14-24)27(34)33-32-17-21-8-15-25(38-28(35)19-2-9-22(30)10-3-19)16-26(21)39-29(36)20-4-11-23(31)12-5-20/h2-17H,1H3,(H,33,34).
What are the key properties of [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate has a molecular weight of 563.39 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 4646056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).