8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one

C16H20ClNO — CID 155553168

IUPAC8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(Cc1ccc(Cl)cc1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C16H20ClNO/c1-11(8-12-2-4-13(17)5-3-12)18-14-6-7-15(18)10-16(19)9-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyYWQYENBZCCPWLG-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.47
Rot. Bonds3

About 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one

8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 155553168) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID155553168
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(Cc1ccc(Cl)cc1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C16H20ClNO/c1-11(8-12-2-4-13(17)5-3-12)18-14-6-7-15(18)10-16(19)9-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyYWQYENBZCCPWLG-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one 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 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one (CID 155553168) is 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one is CC(Cc1ccc(Cl)cc1)N1C2CCC1CC(=O)C2.
What is the InChIKey of 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YWQYENBZCCPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-11(8-12-2-4-13(17)5-3-12)18-14-6-7-15(18)10-16(19)9-14/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one?
8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 277.79 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-chlorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 155553168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).