2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide

C18H15FN2O2 — CID 7526519

IUPAC2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1F
InChIInChI=1S/C18H15FN2O2/c19-15-6-2-1-5-14(15)18(23)20-13-8-11-4-3-7-21-16(22)10-12(9-13)17(11)21/h1-2,5-6,8-9H,3-4,7,10H2,(H,20,23)
InChIKeyDMXDAYFCFLHJAB-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.91
Rot. Bonds2

About 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide

2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (PubChem CID 7526519) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
PubChem CID7526519
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1F
InChIInChI=1S/C18H15FN2O2/c19-15-6-2-1-5-14(15)18(23)20-13-8-11-4-3-7-21-16(22)10-12(9-13)17(11)21/h1-2,5-6,8-9H,3-4,7,10H2,(H,20,23)
InChIKeyDMXDAYFCFLHJAB-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (CID 7526519) is 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The InChIKey is DMXDAYFCFLHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-6-2-1-5-14(15)18(23)20-13-8-11-4-3-7-21-16(22)10-12(9-13)17(11)21/h1-2,5-6,8-9H,3-4,7,10H2,(H,20,23).
What are the key properties of 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide has a molecular weight of 310.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is sourced from PubChem (CID 7526519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).