N-(4-aminocyclohexyl)-2,6-dichlorobenzamide

C13H16Cl2N2O — CID 62313124

IUPACN-(4-aminocyclohexyl)-2,6-dichlorobenzamide
SMILESNC1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-2-1-3-11(15)12(10)13(18)17-9-6-4-8(16)5-7-9/h1-3,8-9H,4-7,16H2,(H,17,18)
InChIKeyGQZALXKZXGXSCK-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.99
Rot. Bonds2

About N-(4-aminocyclohexyl)-2,6-dichlorobenzamide

N-(4-aminocyclohexyl)-2,6-dichlorobenzamide (PubChem CID 62313124) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,6-dichlorobenzamide
PubChem CID62313124
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(4-aminocyclohexyl)-2,6-dichlorobenzamide
SMILESNC1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-2-1-3-11(15)12(10)13(18)17-9-6-4-8(16)5-7-9/h1-3,8-9H,4-7,16H2,(H,17,18)
InChIKeyGQZALXKZXGXSCK-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-2,6-dichlorobenzamide 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-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
CID 155556170
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2096945

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2,6-dichlorobenzamide (CID 62313124) is N-(4-aminocyclohexyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2,6-dichlorobenzamide is NC1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,6-dichlorobenzamide?
The InChIKey is GQZALXKZXGXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-2-1-3-11(15)12(10)13(18)17-9-6-4-8(16)5-7-9/h1-3,8-9H,4-7,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-2,6-dichlorobenzamide?
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide has a molecular weight of 287.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 62313124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).