4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C17H25ClN2O — CID 61251736

IUPAC4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(CCl)cc2)CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)15-8-6-14(12-18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyDTBJJIUAEHLKGJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.42
Rot. Bonds5

About 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 61251736) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID61251736
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(CCl)cc2)CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)15-8-6-14(12-18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyDTBJJIUAEHLKGJ-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 33262857
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 61251736) is 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)C1(CNC(=O)c2ccc(CCl)cc2)CCCCC1.
What is the InChIKey of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is DTBJJIUAEHLKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-20(2)17(10-4-3-5-11-17)13-19-16(21)15-8-6-14(12-18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21).
What are the key properties of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 308.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 61251736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).