7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C19H21FN2O4 — CID 54683837

IUPAC7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCCO4)c(=O)n1c23
InChIInChI=1S/C19H21FN2O4/c1-10-4-5-11-7-12(20)8-14-16(11)22(10)19(25)15(17(14)23)18(24)21-9-13-3-2-6-26-13/h7-8,10,13,23H,2-6,9H2,1H3,(H,21,24)
InChIKeyGEFSRBGKUVJSSJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.26
Rot. Bonds3

About 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54683837) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54683837
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCCO4)c(=O)n1c23
InChIInChI=1S/C19H21FN2O4/c1-10-4-5-11-7-12(20)8-14-16(11)22(10)19(25)15(17(14)23)18(24)21-9-13-3-2-6-26-13/h7-8,10,13,23H,2-6,9H2,1H3,(H,21,24)
InChIKeyGEFSRBGKUVJSSJ-UHFFFAOYSA-N
XLogP2.26
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54683837) is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCCO4)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is GEFSRBGKUVJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-10-4-5-11-7-12(20)8-14-16(11)22(10)19(25)15(17(14)23)18(24)21-9-13-3-2-6-26-13/h7-8,10,13,23H,2-6,9H2,1H3,(H,21,24).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54683837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).