2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide

C16H19F3N2O3 — CID 53378578

IUPAC2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC1C[C@H]2CCC[C@H](C1)N2O
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)9-4-5-14(13(6-9)15(20)22)24-12-7-10-2-1-3-11(8-12)21(10)23/h4-6,10-12,23H,1-3,7-8H2,(H2,20,22)/t10-,11-/m1/s1
InChIKeyGTVCNXZMCAVTFX-GHMZBOCLSA-N
MW344.33 g/mol
LogP2.96
Rot. Bonds3

About 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide

2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide (PubChem CID 53378578) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide
PubChem CID53378578
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC1C[C@H]2CCC[C@H](C1)N2O
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)9-4-5-14(13(6-9)15(20)22)24-12-7-10-2-1-3-11(8-12)21(10)23/h4-6,10-12,23H,1-3,7-8H2,(H2,20,22)/t10-,11-/m1/s1
InChIKeyGTVCNXZMCAVTFX-GHMZBOCLSA-N
XLogP2.96
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 167434690
2-(oxetan-3-yloxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 102606341
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
5-amino-2-cyclohexyloxybenzamide
CID 55125066
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane
CID 71095167
2-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-5-(trifluoromethyl)benzamide
CID 167854652
2-[[(2S)-1-[(2E)-2-hydroxyiminopropyl]pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 87348036
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
2-(3,3-dimethyl-2-oxobutoxy)-5-(trifluoromethyl)benzamide
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2-cyclohexyloxy-4-(trifluoromethyl)aniline
CID 162679508

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide (CID 53378578) is 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OC1C[C@H]2CCC[C@H](C1)N2O.
What is the InChIKey of 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide?
The InChIKey is GTVCNXZMCAVTFX-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)9-4-5-14(13(6-9)15(20)22)24-12-7-10-2-1-3-11(8-12)21(10)23/h4-6,10-12,23H,1-3,7-8H2,(H2,20,22)/t10-,11-/m1/s1.
What are the key properties of 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide?
2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide has a molecular weight of 344.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 53378578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).