N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 119476972

IUPACN-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC(N)CC2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-8-10(2-7-13(9)17(19)20)14(18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12H,3-6,15H2,1H3,(H,16,18);1H
InChIKeyJERSCACAAGMYIA-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.32
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride (PubChem CID 119476972) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
PubChem CID119476972
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC(N)CC2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-8-10(2-7-13(9)17(19)20)14(18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12H,3-6,15H2,1H3,(H,16,18);1H
InChIKeyJERSCACAAGMYIA-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'}

Analyze N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;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)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate
CID 8630084
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate
CID 8630088
N-[(3-hydroxycyclobutyl)methyl]-3-methyl-4-nitrobenzamide
CID 66004258

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride (CID 119476972) is N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride is Cc1cc(C(=O)NC2CCC(N)CC2)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride?
The InChIKey is JERSCACAAGMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9-8-10(2-7-13(9)17(19)20)14(18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12H,3-6,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methyl-4-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)-3-methyl-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119476972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).