N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide

C23H28Cl2N2O — CID 13052047

IUPACN-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28Cl2N2O/c1-27(2)23(16-26-22(28)19-8-9-20(24)21(25)15-19)12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,26,28)
InChIKeyWDQTXSJDYFTDDS-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.46
Rot. Bonds6

About N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide

N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide (PubChem CID 13052047) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide
PubChem CID13052047
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC NameN-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28Cl2N2O/c1-27(2)23(16-26-22(28)19-8-9-20(24)21(25)15-19)12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,26,28)
InChIKeyWDQTXSJDYFTDDS-UHFFFAOYSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
3,4-dichloro-N-[(1R,2R)-2-[methyl(2-phenylethyl)amino]cyclohexyl]benzamide
CID 54000484
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
CID 167985383
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide
CID 129134913

Frequently Asked Questions

What is the IUPAC name of N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide (CID 13052047) is N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide is CN(C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide?
The InChIKey is WDQTXSJDYFTDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-27(2)23(16-26-22(28)19-8-9-20(24)21(25)15-19)12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,26,28).
What are the key properties of N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide?
N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide has a molecular weight of 419.40 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 13052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).