N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 119476368

IUPACN-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-2-7-13(17(19)20)12(8-9)14(18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11H,3-6,15H2,1H3,(H,16,18);1H
InChIKeyUGXJBECVMYMMOW-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.32
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride

N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride (PubChem CID 119476368) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
PubChem CID119476368
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-2-7-13(17(19)20)12(8-9)14(18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11H,3-6,15H2,1H3,(H,16,18);1H
InChIKeyUGXJBECVMYMMOW-UHFFFAOYSA-N
XLogP2.32
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
CID 65461644
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-methyl-2-nitrobenzamide
CID 66197087

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride (CID 119476368) is N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride is Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(N)CC2)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride?
The InChIKey is UGXJBECVMYMMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9-2-7-13(17(19)20)12(8-9)14(18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11H,3-6,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119476368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).