2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

C18H25FN2O — CID 644833

IUPAC2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2
InChIInChI=1S/C18H25FN2O/c1-2-10-21-14-6-5-7-15(21)12-13(11-14)20-18(22)16-8-3-4-9-17(16)19/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,20,22)
InChIKeyASZIWDCSTSMRBY-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.35
Rot. Bonds4

About 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 644833) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID644833
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2
InChIInChI=1S/C18H25FN2O/c1-2-10-21-14-6-5-7-15(21)12-13(11-14)20-18(22)16-8-3-4-9-17(16)19/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,20,22)
InChIKeyASZIWDCSTSMRBY-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 644833) is 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2.
What is the InChIKey of 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is ASZIWDCSTSMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-10-21-14-6-5-7-15(21)12-13(11-14)20-18(22)16-8-3-4-9-17(16)19/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 304.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 644833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).