2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone

C16H21Cl2NO — CID 43797615

IUPAC2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-19(13-6-4-2-3-5-7-13)11-16(20)14-10-12(17)8-9-15(14)18/h8-10,13H,2-7,11H2,1H3
InChIKeyKLWXLISWNJBAPD-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.83
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone

2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone (PubChem CID 43797615) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
PubChem CID43797615
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-19(13-6-4-2-3-5-7-13)11-16(20)14-10-12(17)8-9-15(14)18/h8-10,13H,2-7,11H2,1H3
InChIKeyKLWXLISWNJBAPD-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 63567177
1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63565926
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794680
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone (CID 43797615) is 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone is CN(CC(=O)c1cc(Cl)ccc1Cl)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone?
The InChIKey is KLWXLISWNJBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-19(13-6-4-2-3-5-7-13)11-16(20)14-10-12(17)8-9-15(14)18/h8-10,13H,2-7,11H2,1H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone?
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone has a molecular weight of 314.26 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 43797615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).