N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide

C19H19F3N2O2S — CID 18399895

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-9-17(27-11-14)26-15-3-1-13(2-4-15)18(25)23-16-10-24-7-5-12(16)6-8-24/h1-4,9,11-12,16H,5-8,10H2,(H,23,25)
InChIKeyJZWYXCXZSOMBMM-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.38
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide (PubChem CID 18399895) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide
PubChem CID18399895
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2cc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-9-17(27-11-14)26-15-3-1-13(2-4-15)18(25)23-16-10-24-7-5-12(16)6-8-24/h1-4,9,11-12,16H,5-8,10H2,(H,23,25)
InChIKeyJZWYXCXZSOMBMM-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]oxy]benzamide
CID 18383665
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383899
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[5-(trifluoromethyl)pyrrolidin-2-yl]oxybenzamide
CID 70161749
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[5-(trifluoromethyl)thiophen-2-yl]sulfanylbenzamide
CID 18399885

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide (CID 18399895) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide is O=C(NC1CN2CCC1CC2)c1ccc(Oc2cc(C(F)(F)F)cs2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide?
The InChIKey is JZWYXCXZSOMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-9-17(27-11-14)26-15-3-1-13(2-4-15)18(25)23-16-10-24-7-5-12(16)6-8-24/h1-4,9,11-12,16H,5-8,10H2,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide has a molecular weight of 396.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[4-(trifluoromethyl)thiophen-2-yl]oxybenzamide is sourced from PubChem (CID 18399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).