ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate

C16H15ClN2O2 — CID 87540078

IUPACethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
SMILESCCOC(=O)C(=NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-16(20)15(12-6-4-3-5-7-12)19-18-14-10-8-13(17)9-11-14/h3-11,18H,2H2,1H3
InChIKeyXLYOPECNLLNPHE-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate

ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate (PubChem CID 87540078) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
PubChem CID87540078
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Nameethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
SMILESCCOC(=O)C(=NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-16(20)15(12-6-4-3-5-7-12)19-18-14-10-8-13(17)9-11-14/h3-11,18H,2H2,1H3
InChIKeyXLYOPECNLLNPHE-UHFFFAOYSA-N
XLogP3.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.72
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'}

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Related Compounds

ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
CID 137187314
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 135909767
methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate
CID 100965290
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-5-(1,3-dioxoisoindol-2-yl)pentanoate
CID 11327438
ethyl (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-4-nitro-3-phenylbutanoate
CID 11257368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate (CID 87540078) is ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate is CCOC(=O)C(=NNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate?
The InChIKey is XLYOPECNLLNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-21-16(20)15(12-6-4-3-5-7-12)19-18-14-10-8-13(17)9-11-14/h3-11,18H,2H2,1H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate?
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate has a molecular weight of 302.76 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate is sourced from PubChem (CID 87540078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).