ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate

C17H17ClN2O2 — CID 12857757

IUPACethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
SMILESCCOC(=O)/C(Cl)=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-17(21)16(18)19-20(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b19-16-
InChIKeyNLCUWDJEWCFZMW-MNDPQUGUSA-N
MW316.79 g/mol
LogP3.81
Rot. Bonds6

About ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate

ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate (PubChem CID 12857757) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
PubChem CID12857757
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Nameethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
SMILESCCOC(=O)/C(Cl)=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-17(21)16(18)19-20(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b19-16-
InChIKeyNLCUWDJEWCFZMW-MNDPQUGUSA-N
XLogP3.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.81
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate?
The IUPAC name of ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate (CID 12857757) is ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate.
What is the SMILES notation for ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate?
The canonical SMILES for ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate is CCOC(=O)/C(Cl)=N/N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate?
The InChIKey is NLCUWDJEWCFZMW-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-22-17(21)16(18)19-20(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b19-16-.
What are the key properties of ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate?
ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate has a molecular weight of 316.79 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate is sourced from PubChem (CID 12857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).