N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide

C15H19BrClNO2 — CID 102638440

IUPACN-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1Br
InChIInChI=1S/C15H19BrClNO2/c1-18(14-5-3-2-4-13(14)16)15(19)10-20-12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3
InChIKeyWXPKUHNPBJMVFW-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.88
Rot. Bonds4

About N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide

N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide (PubChem CID 102638440) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
PubChem CID102638440
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC NameN-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1Br
InChIInChI=1S/C15H19BrClNO2/c1-18(14-5-3-2-4-13(14)16)15(19)10-20-12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3
InChIKeyWXPKUHNPBJMVFW-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 134004130
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide (CID 102638440) is N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide?
The InChIKey is WXPKUHNPBJMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-18(14-5-3-2-4-13(14)16)15(19)10-20-12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide?
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide has a molecular weight of 360.68 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 102638440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).