2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide

C16H18BrClN2O2 — CID 7382488

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1Cl)C1(C#N)CCCCC1
InChIInChI=1S/C16H18BrClN2O2/c1-20(16(11-19)7-3-2-4-8-16)15(21)10-22-14-6-5-12(17)9-13(14)18/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyJIWBUPRWOUIGKO-UHFFFAOYSA-N
MW385.69 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 7382488) has the molecular formula C16H18BrClN2O2 and a molecular weight of 385.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID7382488
Molecular FormulaC16H18BrClN2O2
Molecular Weight385.69 g/mol
Exact Mass384.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1Cl)C1(C#N)CCCCC1
InChIInChI=1S/C16H18BrClN2O2/c1-20(16(11-19)7-3-2-4-8-16)15(21)10-22-14-6-5-12(17)9-13(14)18/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyJIWBUPRWOUIGKO-UHFFFAOYSA-N
XLogP4.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 9289889
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351902
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18203739
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253937
2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520939
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 27248645

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 7382488) is 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)COc1ccc(Br)cc1Cl)C1(C#N)CCCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is JIWBUPRWOUIGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O2/c1-20(16(11-19)7-3-2-4-8-16)15(21)10-22-14-6-5-12(17)9-13(14)18/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 385.69 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 7382488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).