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

C18H25FN2O — CID 652732

IUPAC4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C18H25FN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyIRSRFHBPJOAFHA-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.35
Rot. Bonds4

About 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 652732) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID652732
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C18H25FN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyIRSRFHBPJOAFHA-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 652732) is 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CCCN1C2CCCC1CC(NC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is IRSRFHBPJOAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-10-21-16-4-3-5-17(21)12-15(11-16)20-18(22)13-6-8-14(19)9-7-13/h6-9,15-17H,2-5,10-12H2,1H3,(H,20,22).
What are the key properties of 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
4-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 4-fluoro-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 652732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).