ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate

C12H14Cl2N2O2 — CID 12858861

IUPACethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
SMILESCCOC(=O)/C(CC)=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-10(12(17)18-4-2)15-16-11-6-5-8(13)7-9(11)14/h5-7,16H,3-4H2,1-2H3/b15-10-
InChIKeyZKZGEBZWCRCCSG-GDNBJRDFSA-N
MW289.16 g/mol
LogP3.73
Rot. Bonds5

About ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate

ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate (PubChem CID 12858861) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
PubChem CID12858861
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Nameethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
SMILESCCOC(=O)/C(CC)=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-10(12(17)18-4-2)15-16-11-6-5-8(13)7-9(11)14/h5-7,16H,3-4H2,1-2H3/b15-10-
InChIKeyZKZGEBZWCRCCSG-GDNBJRDFSA-N
XLogP3.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.73
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'}

Analyze ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate 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

ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate
CID 131869546
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 6413876
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl 4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 85200793
ethyl (2E)-4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 10600492
ethyl 4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 87640977
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate?
The IUPAC name of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate (CID 12858861) is ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate?
The canonical SMILES for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate is CCOC(=O)/C(CC)=N\Nc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate?
The InChIKey is ZKZGEBZWCRCCSG-GDNBJRDFSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-3-10(12(17)18-4-2)15-16-11-6-5-8(13)7-9(11)14/h5-7,16H,3-4H2,1-2H3/b15-10-.
What are the key properties of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate?
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate has a molecular weight of 289.16 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate is sourced from PubChem (CID 12858861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).