N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride

C13H18ClIN2O — CID 119474943

IUPACN-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C13H17IN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H
InChIKeyOBUOGXWZFDFTMO-UHFFFAOYSA-N
MW380.66 g/mol
LogP2.71
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride (PubChem CID 119474943) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
PubChem CID119474943
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC NameN-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C13H17IN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H
InChIKeyOBUOGXWZFDFTMO-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride 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-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride (CID 119474943) is N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cccc(I)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride?
The InChIKey is OBUOGXWZFDFTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride has a molecular weight of 380.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride is sourced from PubChem (CID 119474943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).