N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide

C22H26FN2O+ — CID 11861829

IUPACN-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H25FN2O/c23-18-9-4-8-17(12-18)22(26)24-19-13-20-10-5-11-21(14-19)25(20)15-16-6-2-1-3-7-16/h1-4,6-9,12,19-21H,5,10-11,13-15H2,(H,24,26)/p+1/t19?,20-,21+
InChIKeyPLGNJYPQGPSPRO-SEJPIABJSA-O
MW353.46 g/mol
LogP2.72
Rot. Bonds4

About N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide

N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide (PubChem CID 11861829) has the molecular formula C22H26FN2O+ and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
PubChem CID11861829
Molecular FormulaC22H26FN2O+
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H25FN2O/c23-18-9-4-8-17(12-18)22(26)24-19-13-20-10-5-11-21(14-19)25(20)15-16-6-2-1-3-7-16/h1-4,6-9,12,19-21H,5,10-11,13-15H2,(H,24,26)/p+1/t19?,20-,21+
InChIKeyPLGNJYPQGPSPRO-SEJPIABJSA-O
XLogP2.72
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide 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-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 11902322
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
3-chloro-N-[(1R,5S)-9-(thiophen-2-ylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
CID 7403446
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
1-[(1R,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 50937937
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
1-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3,5-dimethylphenyl)thiourea
CID 7389804

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide (CID 11861829) is N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide is O=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The InChIKey is PLGNJYPQGPSPRO-SEJPIABJSA-O. The full InChI is InChI=1S/C22H25FN2O/c23-18-9-4-8-17(12-18)22(26)24-19-13-20-10-5-11-21(14-19)25(20)15-16-6-2-1-3-7-16/h1-4,6-9,12,19-21H,5,10-11,13-15H2,(H,24,26)/p+1/t19?,20-,21+.
What are the key properties of N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide has a molecular weight of 353.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 11861829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).