ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate

C11H12Cl2N2O2 — CID 11807913

IUPACethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-11(16)15-14-9(10(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,15,16)/b14-9-
InChIKeyITGSSDVBBJIZSD-ZROIWOOFSA-N
MW275.14 g/mol
LogP2.94
Rot. Bonds4

About ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate

ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate (PubChem CID 11807913) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate
PubChem CID11807913
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Nameethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-11(16)15-14-9(10(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,15,16)/b14-9-
InChIKeyITGSSDVBBJIZSD-ZROIWOOFSA-N
XLogP2.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
CID 139609028
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
[4-[1-(4-chlorophenyl)-2-(ethoxycarbonylhydrazinylidene)-2-phenylethyl]phenyl] trifluoromethanesulfonate
CID 139990964
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
ethyl N-[[amino-(N-phenylanilino)methylidene]amino]carbamate
CID 3415463
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
ethyl N-[(Z)-[phenyl(2H-triazol-4-yl)methylidene]amino]carbamate
CID 135603518
ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
CID 86662431
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
[(E)-(4-ethoxy-3-hydroxy-4-oxo-1-phenylbutylidene)amino]carbamic acid
CID 174204052
ethyl (4E)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-4-phenylbutanoate
CID 175490254

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate?
The IUPAC name of ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate (CID 11807913) is ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate is CCOC(=O)N/N=C(/c1ccccc1)C(Cl)Cl.
What is the InChIKey of ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate?
The InChIKey is ITGSSDVBBJIZSD-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-2-17-11(16)15-14-9(10(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,15,16)/b14-9-.
What are the key properties of ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate?
ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate has a molecular weight of 275.14 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(2,2-dichloro-1-phenylethylidene)amino]carbamate is sourced from PubChem (CID 11807913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).