N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride

C15H22Cl2N2O — CID 119478530

IUPACN-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCC(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-10(11-3-2-4-12(16)9-11)15(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,5-8,17H2,1H3,(H,18,19);1H
InChIKeyTVKRSHQQOFWNCM-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.25
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 119478530) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
PubChem CID119478530
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCC(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-10(11-3-2-4-12(16)9-11)15(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,5-8,17H2,1H3,(H,18,19);1H
InChIKeyTVKRSHQQOFWNCM-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride (CID 119478530) is N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride is CC(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is TVKRSHQQOFWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-10(11-3-2-4-12(16)9-11)15(19)18-14-7-5-13(17)6-8-14;/h2-4,9-10,13-14H,5-8,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119478530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).