N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C20H20F3N3O2 — CID 119458718

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-8-18(24-11-13)28-17-6-1-12(2-7-17)19(27)26-16-9-14-4-5-15(10-16)25-14/h1-3,6-8,11,14-16,25H,4-5,9-10H2,(H,26,27)
InChIKeyYFTNSWALLXJGJL-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.91
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 119458718) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID119458718
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-8-18(24-11-13)28-17-6-1-12(2-7-17)19(27)26-16-9-14-4-5-15(10-16)25-14/h1-3,6-8,11,14-16,25H,4-5,9-10H2,(H,26,27)
InChIKeyYFTNSWALLXJGJL-UHFFFAOYSA-N
XLogP3.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide with MolForge

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Related Compounds

N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119616797
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119448381
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 119458718) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is YFTNSWALLXJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)13-3-8-18(24-11-13)28-17-6-1-12(2-7-17)19(27)26-16-9-14-4-5-15(10-16)25-14/h1-3,6-8,11,14-16,25H,4-5,9-10H2,(H,26,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 391.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 119458718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).