N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide

C15H19N3O3 — CID 65461644

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H19N3O3/c1-9-2-5-14(18(20)21)13(6-9)15(19)17-12-7-10-3-4-11(8-12)16-10/h2,5-6,10-12,16H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyWRKKUDPPSDXGGO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.92
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide (PubChem CID 65461644) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
PubChem CID65461644
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H19N3O3/c1-9-2-5-14(18(20)21)13(6-9)15(19)17-12-7-10-3-4-11(8-12)16-10/h2,5-6,10-12,16H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyWRKKUDPPSDXGGO-UHFFFAOYSA-N
XLogP1.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.92
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-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
CID 119459081
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119457716
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfanyl-3-nitrobenzamide
CID 119458125
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide (CID 65461644) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide?
The InChIKey is WRKKUDPPSDXGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-2-5-14(18(20)21)13(6-9)15(19)17-12-7-10-3-4-11(8-12)16-10/h2,5-6,10-12,16H,3-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide has a molecular weight of 289.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 65461644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).