ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate

C11H12Cl2N2O2 — CID 6106669

IUPACethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)15-14-7(2)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3,(H,15,16)/b14-7-
InChIKeyOUGRHYVTDGBCHX-AUWJEWJLSA-N
MW275.14 g/mol
LogP3.46
Rot. Bonds3

About ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate (PubChem CID 6106669) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate
PubChem CID6106669
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Nameethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)15-14-7(2)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3,(H,15,16)/b14-7-
InChIKeyOUGRHYVTDGBCHX-AUWJEWJLSA-N
XLogP3.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate (CID 6106669) is ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate?
The InChIKey is OUGRHYVTDGBCHX-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)15-14-7(2)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3,(H,15,16)/b14-7-.
What are the key properties of ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate has a molecular weight of 275.14 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 6106669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).