N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C15H15F3N2O — CID 90627334

IUPACN-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1C2C=CCC1CC2
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-6-1-2-7-13(12)19-14(21)20-10-4-3-5-11(20)9-8-10/h1-4,6-7,10-11H,5,8-9H2,(H,19,21)
InChIKeyUAPVJTCJOOMBMJ-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.03
Rot. Bonds1

About N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 90627334) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID90627334
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1C2C=CCC1CC2
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-6-1-2-7-13(12)19-14(21)20-10-4-3-5-11(20)9-8-10/h1-4,6-7,10-11H,5,8-9H2,(H,19,21)
InChIKeyUAPVJTCJOOMBMJ-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,10R)-5-methyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-diene-13-carboxamide
CID 137256776
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
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4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
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4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
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CID 72886540
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
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CID 3857364
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
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3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 90627334) is N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1C2C=CCC1CC2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is UAPVJTCJOOMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-6-1-2-7-13(12)19-14(21)20-10-4-3-5-11(20)9-8-10/h1-4,6-7,10-11H,5,8-9H2,(H,19,21).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 90627334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).