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

C17H23FN2O — CID 61232094

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O/c1-2-8-20(16-10-14-6-7-15(11-16)19-14)17(21)12-4-3-5-13(18)9-12/h3-5,9,14-16,19H,2,6-8,10-11H2,1H3
InChIKeyREOOJEJUKLQLHE-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.96
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide (PubChem CID 61232094) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
PubChem CID61232094
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O/c1-2-8-20(16-10-14-6-7-15(11-16)19-14)17(21)12-4-3-5-13(18)9-12/h3-5,9,14-16,19H,2,6-8,10-11H2,1H3
InChIKeyREOOJEJUKLQLHE-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride
CID 102560206
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide (CID 61232094) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide is CCCN(C(=O)c1cccc(F)c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide?
The InChIKey is REOOJEJUKLQLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-8-20(16-10-14-6-7-15(11-16)19-14)17(21)12-4-3-5-13(18)9-12/h3-5,9,14-16,19H,2,6-8,10-11H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide has a molecular weight of 290.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 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-fluoro-N-propylbenzamide is sourced from PubChem (CID 61232094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).