methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate

C18H24Cl2N2O4 — CID 59942319

IUPACmethyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)COc1ccc(NC(=O)C2(C)CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C18H24Cl2N2O4/c1-18(9-5-4-6-10-18)16(23)21-12-7-8-13(15(20)14(12)19)26-11-22(2)17(24)25-3/h7-8H,4-6,9-11H2,1-3H3,(H,21,23)
InChIKeyWUFNVORIMMQGOR-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.94
Rot. Bonds5

About methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate

methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate (PubChem CID 59942319) has the molecular formula C18H24Cl2N2O4 and a molecular weight of 403.31 g/mol. Its IUPAC name is methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate
PubChem CID59942319
Molecular FormulaC18H24Cl2N2O4
Molecular Weight403.31 g/mol
Exact Mass402.11
IUPAC Namemethyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)COc1ccc(NC(=O)C2(C)CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C18H24Cl2N2O4/c1-18(9-5-4-6-10-18)16(23)21-12-7-8-13(15(20)14(12)19)26-11-22(2)17(24)25-3/h7-8H,4-6,9-11H2,1-3H3,(H,21,23)
InChIKeyWUFNVORIMMQGOR-UHFFFAOYSA-N
XLogP4.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate
CID 59942316
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 59942309
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
CID 174612601
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 100692486
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828211

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate (CID 59942319) is methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate is COC(=O)N(C)COc1ccc(NC(=O)C2(C)CCCCC2)c(Cl)c1Cl.
What is the InChIKey of methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate?
The InChIKey is WUFNVORIMMQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O4/c1-18(9-5-4-6-10-18)16(23)21-12-7-8-13(15(20)14(12)19)26-11-22(2)17(24)25-3/h7-8H,4-6,9-11H2,1-3H3,(H,21,23).
What are the key properties of methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate?
methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate has a molecular weight of 403.31 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate is sourced from PubChem (CID 59942319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).