methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate

C18H18Cl2N2O4 — CID 54149185

IUPACmethyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CON=C(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-12(14-8-15(19)10-16(20)9-14)21-26-11-13-6-4-5-7-17(13)22(25-3)18(23)24-2/h4-10H,11H2,1-3H3
InChIKeyOGNVJGPMCJLWBY-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.07
Rot. Bonds6

About methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate

methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate (PubChem CID 54149185) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
PubChem CID54149185
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Namemethyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CON=C(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-12(14-8-15(19)10-16(20)9-14)21-26-11-13-6-4-5-7-17(13)22(25-3)18(23)24-2/h4-10H,11H2,1-3H3
InChIKeyOGNVJGPMCJLWBY-UHFFFAOYSA-N
XLogP5.07
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
CID 20667532
CID 20667532
methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 141106557
methyl N-[2-[[(E)-1-(5-fluoro-1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 172964281
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
CID 54302487
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 10891056
methyl N-[2-[[(E)-1-(3-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-prop-2-ynylcarbamate
CID 20667507
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 170331313

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The IUPAC name of methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate (CID 54149185) is methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate.
What is the SMILES notation for methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The canonical SMILES for methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate is COC(=O)N(OC)c1ccccc1CON=C(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The InChIKey is OGNVJGPMCJLWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-12(14-8-15(19)10-16(20)9-14)21-26-11-13-6-4-5-7-17(13)22(25-3)18(23)24-2/h4-10H,11H2,1-3H3.
What are the key properties of methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate has a molecular weight of 397.26 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate is sourced from PubChem (CID 54149185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).