[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

C23H19ClN2O3 — CID 3536655

IUPAC[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(CCc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3/c24-20-11-9-19(10-12-20)23(28)29-21-13-6-18(7-14-21)16-25-26-22(27)15-8-17-4-2-1-3-5-17/h1-7,9-14,16H,8,15H2,(H,26,27)
InChIKeyRMFZYKBRYYAGIH-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.64
Rot. Bonds7

About [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (PubChem CID 3536655) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
PubChem CID3536655
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(CCc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3/c24-20-11-9-19(10-12-20)23(28)29-21-13-6-18(7-14-21)16-25-26-22(27)15-8-17-4-2-1-3-5-17/h1-7,9-14,16H,8,15H2,(H,26,27)
InChIKeyRMFZYKBRYYAGIH-UHFFFAOYSA-N
XLogP4.64
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate 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-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5139439
[4-[[[2-(4-propylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3412337
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6261655
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
[4-[[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5214777

Frequently Asked Questions

What is the IUPAC name of [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (CID 3536655) is [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is O=C(CCc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The InChIKey is RMFZYKBRYYAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-20-11-9-19(10-12-20)23(28)29-21-13-6-18(7-14-21)16-25-26-22(27)15-8-17-4-2-1-3-5-17/h1-7,9-14,16H,8,15H2,(H,26,27).
What are the key properties of [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate has a molecular weight of 406.87 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 3536655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).