N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide

C14H17FN2O — CID 61238981

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c15-10-3-1-2-9(6-10)14(18)17-13-7-11-4-5-12(8-13)16-11/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18)
InChIKeyPJYLEAILMXVWDC-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.84
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide (PubChem CID 61238981) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
PubChem CID61238981
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c15-10-3-1-2-9(6-10)14(18)17-13-7-11-4-5-12(8-13)16-11/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18)
InChIKeyPJYLEAILMXVWDC-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide (CID 61238981) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide is O=C(NC1CC2CCC(C1)N2)c1cccc(F)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The InChIKey is PJYLEAILMXVWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-10-3-1-2-9(6-10)14(18)17-13-7-11-4-5-12(8-13)16-11/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide has a molecular weight of 248.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 61238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).