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

C15H18FN3O3 — CID 119459081

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
SMILESCc1cc(F)cc(C(=O)NC2CC3CCC(C2)N3)c1[N+](=O)[O-]
InChIInChI=1S/C15H18FN3O3/c1-8-4-9(16)5-13(14(8)19(21)22)15(20)18-12-6-10-2-3-11(7-12)17-10/h4-5,10-12,17H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyWFAQENJIGWSQLB-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.06
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide (PubChem CID 119459081) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
PubChem CID119459081
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
SMILESCc1cc(F)cc(C(=O)NC2CC3CCC(C2)N3)c1[N+](=O)[O-]
InChIInChI=1S/C15H18FN3O3/c1-8-4-9(16)5-13(14(8)19(21)22)15(20)18-12-6-10-2-3-11(7-12)17-10/h4-5,10-12,17H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyWFAQENJIGWSQLB-UHFFFAOYSA-N
XLogP2.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.06
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-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide 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-(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-methyl-2-nitrobenzamide
CID 65461644
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(2-aminoethyl)-5-fluoro-3-methyl-2-nitrobenzamide;hydrochloride
CID 119385166
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119457716
5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119558950
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464062
3-[(5-fluoro-3-methyl-2-nitrobenzoyl)amino]butanoic acid
CID 119221379
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide (CID 119459081) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide is Cc1cc(F)cc(C(=O)NC2CC3CCC(C2)N3)c1[N+](=O)[O-].
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide?
The InChIKey is WFAQENJIGWSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-8-4-9(16)5-13(14(8)19(21)22)15(20)18-12-6-10-2-3-11(7-12)17-10/h4-5,10-12,17H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide has a molecular weight of 307.33 g/mol, XLogP of 2.06, 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-fluoro-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 119459081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).