2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

C19H15F3N4O2 — CID 4304815

IUPAC2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)12-4-3-5-13(10-12)23-18(28)25-9-7-15-14(11-25)17(27)26-8-2-1-6-16(26)24-15/h1-6,8,10H,7,9,11H2,(H,23,28)
InChIKeyIXAMZBDOYDMHRW-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.30
Rot. Bonds1

About 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (PubChem CID 4304815) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
PubChem CID4304815
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)12-4-3-5-13(10-12)23-18(28)25-9-7-15-14(11-25)17(27)26-8-2-1-6-16(26)24-15/h1-6,8,10H,7,9,11H2,(H,23,28)
InChIKeyIXAMZBDOYDMHRW-UHFFFAOYSA-N
XLogP3.30
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (CID 4304815) is 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2nc3ccccn3c(=O)c2C1.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The InChIKey is IXAMZBDOYDMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)12-4-3-5-13(10-12)23-18(28)25-9-7-15-14(11-25)17(27)26-8-2-1-6-16(26)24-15/h1-6,8,10H,7,9,11H2,(H,23,28).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is sourced from PubChem (CID 4304815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).