N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide

C14H16ClFN2O — CID 61231775

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17H,4-7H2,(H,18,19)
InChIKeyPAWUZROZYVLHRL-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.49
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide (PubChem CID 61231775) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
PubChem CID61231775
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17H,4-7H2,(H,18,19)
InChIKeyPAWUZROZYVLHRL-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 170430073
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide (CID 61231775) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide is O=C(NC1CC2CCC(C1)N2)c1c(F)cccc1Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide?
The InChIKey is PAWUZROZYVLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-8-4-5-9(7-10)17-8/h1-3,8-10,17H,4-7H2,(H,18,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide has a molecular weight of 282.75 g/mol, XLogP of 2.49, 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)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 61231775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).