ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate

C11H10Cl4N2O2S — CID 154478618

IUPACethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate
SMILESCCOC(=O)N(N=Cc1ccc(Cl)cc1)SC(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl4N2O2S/c1-2-19-10(18)17(20-11(13,14)15)16-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyVFCMUVBKCDRICZ-UHFFFAOYSA-N
MW376.09 g/mol
LogP5.11
Rot. Bonds4

About ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate

ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate (PubChem CID 154478618) has the molecular formula C11H10Cl4N2O2S and a molecular weight of 376.09 g/mol. Its IUPAC name is ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate.

Molecular Properties

Compound Nameethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate
PubChem CID154478618
Molecular FormulaC11H10Cl4N2O2S
Molecular Weight376.09 g/mol
Exact Mass373.92
IUPAC Nameethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate
SMILESCCOC(=O)N(N=Cc1ccc(Cl)cc1)SC(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl4N2O2S/c1-2-19-10(18)17(20-11(13,14)15)16-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyVFCMUVBKCDRICZ-UHFFFAOYSA-N
XLogP5.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.09
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
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ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
N-tert-butyl-3,5-dichloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
CID 134104323
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
CID 86171147
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
CID 54507813
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate
CID 54604290
N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 146217343

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate?
The IUPAC name of ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate (CID 154478618) is ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate.
What is the SMILES notation for ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate?
The canonical SMILES for ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate is CCOC(=O)N(N=Cc1ccc(Cl)cc1)SC(Cl)(Cl)Cl.
What is the InChIKey of ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate?
The InChIKey is VFCMUVBKCDRICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4N2O2S/c1-2-19-10(18)17(20-11(13,14)15)16-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate?
ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate has a molecular weight of 376.09 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate is sourced from PubChem (CID 154478618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).