N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride

C13H18Cl2N2O — CID 86277368

IUPACN-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;/h1-4,11-12H,5-8,15H2,(H,16,17);1H
InChIKeyRUIBXSWOYKGYKH-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.76
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride

N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride (PubChem CID 86277368) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
PubChem CID86277368
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;/h1-4,11-12H,5-8,15H2,(H,16,17);1H
InChIKeyRUIBXSWOYKGYKH-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride (CID 86277368) is N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride?
The InChIKey is RUIBXSWOYKGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;/h1-4,11-12H,5-8,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 86277368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).