ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate

C11H11Cl2NO3 — CID 173365405

IUPACethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-2-16-11(15)7-17-14-6-8-3-4-9(12)5-10(8)13/h3-6H,2,7H2,1H3/b14-6+
InChIKeyVHCPEEQOEIIZSZ-MKMNVTDBSA-N
MW276.12 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate

ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate (PubChem CID 173365405) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
PubChem CID173365405
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Nameethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-2-16-11(15)7-17-14-6-8-3-4-9(12)5-10(8)13/h3-6H,2,7H2,1H3/b14-6+
InChIKeyVHCPEEQOEIIZSZ-MKMNVTDBSA-N
XLogP2.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.91
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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Related Compounds

2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2436771
propyl 3-[(E)-(2,4-dichlorophenyl)methylideneamino]oxypropanoate
CID 173365406
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
CID 173365422
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
ethyl 3-[3-(2,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923092
diethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanedioate
CID 33239901
3-(2,6-dichlorophenyl)-N'-[2-[(2,4-dichlorophenyl)methylideneamino]oxyacetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2804484
propyl 3-[(E)-(2-chloro-4-fluorophenyl)methylideneamino]oxypropanoate
CID 173365386
[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
CID 54338352
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318
ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate
CID 57309973

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate?
The IUPAC name of ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate (CID 173365405) is ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate is CCOC(=O)CO/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate?
The InChIKey is VHCPEEQOEIIZSZ-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-2-16-11(15)7-17-14-6-8-3-4-9(12)5-10(8)13/h3-6H,2,7H2,1H3/b14-6+.
What are the key properties of ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate?
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate has a molecular weight of 276.12 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 173365405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).