[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

C22H17ClN2O3 — CID 3965877

IUPAC[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3/c23-19-10-8-18(9-11-19)22(27)28-20-12-6-17(7-13-20)15-24-25-21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,25,26)
InChIKeyHUHLENGFTHPNBO-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.25
Rot. Bonds6

About [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (PubChem CID 3965877) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
PubChem CID3965877
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3/c23-19-10-8-18(9-11-19)22(27)28-20-12-6-17(7-13-20)15-24-25-21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,25,26)
InChIKeyHUHLENGFTHPNBO-UHFFFAOYSA-N
XLogP4.25
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.25
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-[[(2-phenylacetyl)hydrazinylidene]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-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3536655
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6261655
[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
[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-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 94844387
[4-[[[2-(4-propylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3412337

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (CID 3965877) is [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is O=C(Cc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The InChIKey is HUHLENGFTHPNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-19-10-8-18(9-11-19)22(27)28-20-12-6-17(7-13-20)15-24-25-21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,25,26).
What are the key properties of [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate has a molecular weight of 392.84 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 3965877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).