N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C20H17FN2O3 — CID 54689675

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C20H17FN2O3/c21-14-8-6-12(7-9-14)11-22-19(25)16-18(24)15-5-1-3-13-4-2-10-23(17(13)15)20(16)26/h1,3,5-9,24H,2,4,10-11H2,(H,22,25)
InChIKeyFAJYOWADSFVCJF-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.72
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54689675) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54689675
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C20H17FN2O3/c21-14-8-6-12(7-9-14)11-22-19(25)16-18(24)15-5-1-3-13-4-2-10-23(17(13)15)20(16)26/h1,3,5-9,24H,2,4,10-11H2,(H,22,25)
InChIKeyFAJYOWADSFVCJF-UHFFFAOYSA-N
XLogP2.72
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54689675) is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is FAJYOWADSFVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-14-8-6-12(7-9-14)11-22-19(25)16-18(24)15-5-1-3-13-4-2-10-23(17(13)15)20(16)26/h1,3,5-9,24H,2,4,10-11H2,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54689675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).