[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone

C23H26FNO2 — CID 138473868

IUPAC[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
SMILESCC(C)(O)Cc1ccc(C(=O)N2CCC3(c4ccccc4)CC2C3)cc1F
InChIInChI=1S/C23H26FNO2/c1-22(2,27)13-17-9-8-16(12-20(17)24)21(26)25-11-10-23(14-19(25)15-23)18-6-4-3-5-7-18/h3-9,12,19,27H,10-11,13-15H2,1-2H3
InChIKeyFWRRTFHECZMCJX-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.09
Rot. Bonds4

About [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone

[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone (PubChem CID 138473868) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
PubChem CID138473868
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
SMILESCC(C)(O)Cc1ccc(C(=O)N2CCC3(c4ccccc4)CC2C3)cc1F
InChIInChI=1S/C23H26FNO2/c1-22(2,27)13-17-9-8-16(12-20(17)24)21(26)25-11-10-23(14-19(25)15-23)18-6-4-3-5-7-18/h3-9,12,19,27H,10-11,13-15H2,1-2H3
InChIKeyFWRRTFHECZMCJX-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone 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 [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The IUPAC name of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone (CID 138473868) is [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone.
What is the SMILES notation for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The canonical SMILES for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone is CC(C)(O)Cc1ccc(C(=O)N2CCC3(c4ccccc4)CC2C3)cc1F.
What is the InChIKey of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The InChIKey is FWRRTFHECZMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-22(2,27)13-17-9-8-16(12-20(17)24)21(26)25-11-10-23(14-19(25)15-23)18-6-4-3-5-7-18/h3-9,12,19,27H,10-11,13-15H2,1-2H3.
What are the key properties of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone has a molecular weight of 367.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone is sourced from PubChem (CID 138473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).