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

C18H15FN4O2 — CID 3489665

IUPACN-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C18H15FN4O2/c19-12-4-3-5-13(10-12)20-18(25)22-9-7-15-14(11-22)17(24)23-8-2-1-6-16(23)21-15/h1-6,8,10H,7,9,11H2,(H,20,25)
InChIKeyOUSVEQPSZUJTDO-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.42
Rot. Bonds1

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

N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (PubChem CID 3489665) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
PubChem CID3489665
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C18H15FN4O2/c19-12-4-3-5-13(10-12)20-18(25)22-9-7-15-14(11-22)17(24)23-8-2-1-6-16(23)21-15/h1-6,8,10H,7,9,11H2,(H,20,25)
InChIKeyOUSVEQPSZUJTDO-UHFFFAOYSA-N
XLogP2.42
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (CID 3489665) is N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is O=C(Nc1cccc(F)c1)N1CCc2nc3ccccn3c(=O)c2C1.
What is the InChIKey of N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The InChIKey is OUSVEQPSZUJTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-12-4-3-5-13(10-12)20-18(25)22-9-7-15-14(11-22)17(24)23-8-2-1-6-16(23)21-15/h1-6,8,10H,7,9,11H2,(H,20,25).
What are the key properties of N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is sourced from PubChem (CID 3489665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).