N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide

C16H22Cl2N2O — CID 155630784

IUPACN-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(Cl)C(Cl)CCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C16H22Cl2N2O/c1-20(2)16(18)13(9-6-10-14(16)17)11-19-15(21)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H,19,21)
InChIKeyGZTKQXDELDDDRT-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.32
Rot. Bonds4

About N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide

N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 155630784) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID155630784
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(Cl)C(Cl)CCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C16H22Cl2N2O/c1-20(2)16(18)13(9-6-10-14(16)17)11-19-15(21)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H,19,21)
InChIKeyGZTKQXDELDDDRT-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
3-[[(1S,2R,4R,6R)-2,6-dihydroxy-2-methyl-4-phenylcyclononyl]methylcarbamoyl]benzoic acid
CID 129457945
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
CID 21361588
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409
N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
CID 141340385
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide (CID 155630784) is N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)C1(Cl)C(Cl)CCCC1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is GZTKQXDELDDDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-20(2)16(18)13(9-6-10-14(16)17)11-19-15(21)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide?
N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 329.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dichloro-2-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 155630784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).