N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H22Cl2N2O — CID 119474559

IUPACN-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-12-3-1-2-11(10-12)16(8-9-16)15(20)19-14-6-4-13(18)5-7-14;/h1-3,10,13-14H,4-9,18H2,(H,19,20);1H
InChIKeyHMFJRUPSLPRTME-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.18
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119474559) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119474559
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-12-3-1-2-11(10-12)16(8-9-16)15(20)19-14-6-4-13(18)5-7-14;/h1-3,10,13-14H,4-9,18H2,(H,19,20);1H
InChIKeyHMFJRUPSLPRTME-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
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CID 119474298
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080
tert-butyl 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylate
CID 52731131
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 56568898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119474559) is N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HMFJRUPSLPRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c17-12-3-1-2-11(10-12)16(8-9-16)15(20)19-14-6-4-13(18)5-7-14;/h1-3,10,13-14H,4-9,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).