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

C15H19N3O3 — CID 61230667

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H19N3O3/c1-17(14-8-11-5-6-12(9-14)16-11)15(19)10-3-2-4-13(7-10)18(20)21/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3
InChIKeyPWFCJSVZCRSLLT-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.95
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide (PubChem CID 61230667) 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)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
PubChem CID61230667
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H19N3O3/c1-17(14-8-11-5-6-12(9-14)16-11)15(19)10-3-2-4-13(7-10)18(20)21/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3
InChIKeyPWFCJSVZCRSLLT-UHFFFAOYSA-N
XLogP1.95
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 43595788
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
N-methyl-N-(4-methylcyclohexyl)-3,5-dinitrobenzamide
CID 32919661

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide (CID 61230667) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide is CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide?
The InChIKey is PWFCJSVZCRSLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(14-8-11-5-6-12(9-14)16-11)15(19)10-3-2-4-13(7-10)18(20)21/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide has a molecular weight of 289.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 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)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 61230667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).