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

C16H22ClNO2 — CID 55468954

IUPAC2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(14-6-4-2-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3
InChIKeyVMXWUPITPYNBGE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.90
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide (PubChem CID 55468954) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
PubChem CID55468954
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(14-6-4-2-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3
InChIKeyVMXWUPITPYNBGE-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide (CID 55468954) is 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide?
The InChIKey is VMXWUPITPYNBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(14-6-4-2-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide?
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 55468954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).