ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate

C11H10Cl2N2O2 — CID 129251287

IUPACethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NN=C(Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)10(13)15-14-9(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDNFBMHUAMJLYAM-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.79
Rot. Bonds4

About ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate

ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate (PubChem CID 129251287) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
PubChem CID129251287
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Nameethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NN=C(Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)10(13)15-14-9(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDNFBMHUAMJLYAM-UHFFFAOYSA-N
XLogP2.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.79
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'}

Analyze ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate 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 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-chloro-2-iodo-3-phenylprop-2-enoate
CID 11544593
ethyl (E)-2-bromo-3-chloro-3-phenylprop-2-enoate
CID 100992356
benzamide;ethyl carbonochloridate;hydrochloride
CID 174390729
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
chloroethane;ethyl benzoate
CID 91175503
ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
CID 12857757
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate (CID 129251287) is ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate is CCOC(=O)C(Cl)=NN=C(Cl)c1ccccc1.
What is the InChIKey of ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate?
The InChIKey is DNFBMHUAMJLYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)10(13)15-14-9(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate?
ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate has a molecular weight of 273.12 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate is sourced from PubChem (CID 129251287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).