2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride

C17H26Cl2N2O — CID 20995022

IUPAC2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)12-14-6-8-15(18)9-7-14;/h6-9H,3-5,10-13H2,1-2H3,(H,19,21);1H
InChIKeyPLHFWSYDDLGKBJ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride (PubChem CID 20995022) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
PubChem CID20995022
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)12-14-6-8-15(18)9-7-14;/h6-9H,3-5,10-13H2,1-2H3,(H,19,21);1H
InChIKeyPLHFWSYDDLGKBJ-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
CID 42348988
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
1-(4-chlorophenyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea
CID 8771058
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride (CID 20995022) is 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride is CN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The InChIKey is PLHFWSYDDLGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)12-14-6-8-15(18)9-7-14;/h6-9H,3-5,10-13H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 20995022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).