N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide

C15H19FN2O2 — CID 81285092

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-20-14-6-9(2-5-13(14)16)15(19)18-12-7-10-3-4-11(8-12)17-10/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyQJUHUJQDXBWSPS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.85
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide (PubChem CID 81285092) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
PubChem CID81285092
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-20-14-6-9(2-5-13(14)16)15(19)18-12-7-10-3-4-11(8-12)17-10/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyQJUHUJQDXBWSPS-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
CID 119456779
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide (CID 81285092) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide?
The InChIKey is QJUHUJQDXBWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-20-14-6-9(2-5-13(14)16)15(19)18-12-7-10-3-4-11(8-12)17-10/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide has a molecular weight of 278.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81285092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).