[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate

C30H24ClN3O5 — CID 124540117

IUPAC[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H24ClN3O5/c1-2-38-27-18-20(8-17-26(27)39-30(37)23-6-4-3-5-7-23)19-32-34-29(36)22-11-15-25(16-12-22)33-28(35)21-9-13-24(31)14-10-21/h3-19H,2H2,1H3,(H,33,35)(H,34,36)/b32-19-
InChIKeyAGJFFRXMEGXLQF-MZFJOGFUSA-N
MW541.99 g/mol
LogP5.97
Rot. Bonds9

About [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate

[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate (PubChem CID 124540117) has the molecular formula C30H24ClN3O5 and a molecular weight of 541.99 g/mol. Its IUPAC name is [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
PubChem CID124540117
Molecular FormulaC30H24ClN3O5
Molecular Weight541.99 g/mol
Exact Mass541.14
IUPAC Name[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H24ClN3O5/c1-2-38-27-18-20(8-17-26(27)39-30(37)23-6-4-3-5-7-23)19-32-34-29(36)22-11-15-25(16-12-22)33-28(35)21-9-13-24(31)14-10-21/h3-19H,2H2,1H3,(H,33,35)(H,34,36)/b32-19-
InChIKeyAGJFFRXMEGXLQF-MZFJOGFUSA-N
XLogP5.97
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.99
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-[[4-(propanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6872475
[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 124540113
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 6036795
[4-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 124544586
[2-ethoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4105053
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 3763073
[4-[(benzoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 4187043
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3735265
[4-[[[3-[(5-chloro-2-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 126230724
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
[2-ethoxy-4-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126226015
[2-ethoxy-4-[[[3-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126232851

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate?
The IUPAC name of [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate (CID 124540117) is [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate.
What is the SMILES notation for [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate?
The canonical SMILES for [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate is CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate?
The InChIKey is AGJFFRXMEGXLQF-MZFJOGFUSA-N. The full InChI is InChI=1S/C30H24ClN3O5/c1-2-38-27-18-20(8-17-26(27)39-30(37)23-6-4-3-5-7-23)19-32-34-29(36)22-11-15-25(16-12-22)33-28(35)21-9-13-24(31)14-10-21/h3-19H,2H2,1H3,(H,33,35)(H,34,36)/b32-19-.
What are the key properties of [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate?
[4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate has a molecular weight of 541.99 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate is sourced from PubChem (CID 124540117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).