9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

C17H18F3NO2 — CID 2898045

IUPAC9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)13-6-1-2-7-14(13)21-16(23)12-8-10-4-3-5-11(9-12)15(10)22/h1-2,6-7,10-12H,3-5,8-9H2,(H,21,23)
InChIKeyHGKJAMMTBZOTFX-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.04
Rot. Bonds2

About 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 2898045) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID2898045
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)13-6-1-2-7-14(13)21-16(23)12-8-10-4-3-5-11(9-12)15(10)22/h1-2,6-7,10-12H,3-5,8-9H2,(H,21,23)
InChIKeyHGKJAMMTBZOTFX-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2969703
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8863813
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
(1R,5S)-N-(2,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8702374
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 2898045) is 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CC2CCCC(C1)C2=O.
What is the InChIKey of 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HGKJAMMTBZOTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c18-17(19,20)13-6-1-2-7-14(13)21-16(23)12-8-10-4-3-5-11(9-12)15(10)22/h1-2,6-7,10-12H,3-5,8-9H2,(H,21,23).
What are the key properties of 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 2898045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).