8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone

C18H18FNO — CID 171949009

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)c2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C18H18FNO/c19-17-8-7-16(14-3-1-2-4-15(14)17)18(21)11-9-12-5-6-13(10-11)20-12/h1-4,7-8,11-13,20H,5-6,9-10H2
InChIKeyPKOVWSMDVCRXDH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.69
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone (PubChem CID 171949009) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
PubChem CID171949009
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)c2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C18H18FNO/c19-17-8-7-16(14-3-1-2-4-15(14)17)18(21)11-9-12-5-6-13(10-11)20-12/h1-4,7-8,11-13,20H,5-6,9-10H2
InChIKeyPKOVWSMDVCRXDH-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-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

Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939049
tert-butyl 3-(4-fluoronaphthalene-1-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171949011
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
benzyl 3-(4-fluoronaphthalene-1-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949024
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949519
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
CID 171941830
tert-butyl 7-(4-fluoronaphthalene-1-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949032

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone (CID 171949009) is 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone is O=C(c1ccc(F)c2ccccc12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone?
The InChIKey is PKOVWSMDVCRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-8-7-16(14-3-1-2-4-15(14)17)18(21)11-9-12-5-6-13(10-11)20-12/h1-4,7-8,11-13,20H,5-6,9-10H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone is sourced from PubChem (CID 171949009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).