N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 119474933

IUPACN-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
SMILESCc1c(C(=O)NC2CCC(N)CC2)cccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-12(3-2-4-13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11;/h2-4,10-11H,5-8,15H2,1H3,(H,16,18);1H
InChIKeyIUZBLIGTJABJMZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.32
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride (PubChem CID 119474933) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
PubChem CID119474933
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
SMILESCc1c(C(=O)NC2CCC(N)CC2)cccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-12(3-2-4-13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11;/h2-4,10-11H,5-8,15H2,1H3,(H,16,18);1H
InChIKeyIUZBLIGTJABJMZ-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

2-methyl-N-[4-(methylamino)cyclohexyl]-3-nitrobenzamide
CID 79117750
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
CID 115678620
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
N-cyclopropyl-2-(cyclopropylamino)-3-nitrobenzamide
CID 67433398
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-cyclopropyl-3-nitro-2-(propylamino)benzamide
CID 112580551

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride (CID 119474933) is N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride is Cc1c(C(=O)NC2CCC(N)CC2)cccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride?
The InChIKey is IUZBLIGTJABJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9-12(3-2-4-13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11;/h2-4,10-11H,5-8,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-methyl-3-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)-2-methyl-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119474933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).