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

C14H17N3O3 — CID 61237722

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c18-14(12-3-1-2-4-13(12)17(19)20)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2,(H,16,18)
InChIKeyLFEWLJDZHSJWPV-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.61
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide (PubChem CID 61237722) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
PubChem CID61237722
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c18-14(12-3-1-2-4-13(12)17(19)20)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2,(H,16,18)
InChIKeyLFEWLJDZHSJWPV-UHFFFAOYSA-N
XLogP1.61
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.61
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-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
CID 65461644
N-(4-isocyanocyclohexyl)-2-nitrobenzamide
CID 123970448
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride
CID 119458031
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)-4-methylsulfanyl-3-nitrobenzamide
CID 119458125
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
CID 119459081
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119457716
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(benzylamino)-3-nitrobenzamide;hydrochloride
CID 119459195
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide (CID 61237722) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide is O=C(NC1CC2CCC(C1)N2)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide?
The InChIKey is LFEWLJDZHSJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(12-3-1-2-4-13(12)17(19)20)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2,(H,16,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.61, 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)-2-nitrobenzamide is sourced from PubChem (CID 61237722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).