(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H22F3NO2 — CID 98405028

IUPAC(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@H]2CCC[C@H](C1)C2=O
InChIInChI=1S/C19H22F3NO2/c20-19(21,22)16-6-4-12(5-7-16)8-9-23-18(25)15-10-13-2-1-3-14(11-15)17(13)24/h4-7,13-15H,1-3,8-11H2,(H,23,25)/t13-,14-/m1/s1
InChIKeyOCVINOKWINWYPG-ZIAGYGMSSA-N
MW353.38 g/mol
LogP3.76
Rot. Bonds4

About (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 98405028) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID98405028
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@H]2CCC[C@H](C1)C2=O
InChIInChI=1S/C19H22F3NO2/c20-19(21,22)16-6-4-12(5-7-16)8-9-23-18(25)15-10-13-2-1-3-14(11-15)17(13)24/h4-7,13-15H,1-3,8-11H2,(H,23,25)/t13-,14-/m1/s1
InChIKeyOCVINOKWINWYPG-ZIAGYGMSSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 43045641
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
CID 46430265
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817
9-oxo-N-[4-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]but-2-ynyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 167908810
N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46481351
1-(4-methylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594170
3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
N-[2-(prop-2-enoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155937668
[(3R)-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]pyrrolidin-3-yl]carbamic acid
CID 146217823
1-thiophen-2-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594377
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640645
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 98405028) is (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@H]2CCC[C@H](C1)C2=O.
What is the InChIKey of (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is OCVINOKWINWYPG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22F3NO2/c20-19(21,22)16-6-4-12(5-7-16)8-9-23-18(25)15-10-13-2-1-3-14(11-15)17(13)24/h4-7,13-15H,1-3,8-11H2,(H,23,25)/t13-,14-/m1/s1.
What are the key properties of (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 98405028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).