5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C19H14ClF2N3O2 — CID 91632605

IUPAC5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2nc3ccc(F)cn3c(=O)c2C1
InChIInChI=1S/C19H14ClF2N3O2/c20-14-2-1-3-15(22)12(14)8-18(26)24-7-6-16-13(10-24)19(27)25-9-11(21)4-5-17(25)23-16/h1-5,9H,6-8,10H2
InChIKeyIGDSLWCHQKZHNF-UHFFFAOYSA-N
MW389.79 g/mol
LogP2.75
Rot. Bonds2

About 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 91632605) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID91632605
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2nc3ccc(F)cn3c(=O)c2C1
InChIInChI=1S/C19H14ClF2N3O2/c20-14-2-1-3-15(22)12(14)8-18(26)24-7-6-16-13(10-24)19(27)25-9-11(21)4-5-17(25)23-16/h1-5,9H,6-8,10H2
InChIKeyIGDSLWCHQKZHNF-UHFFFAOYSA-N
XLogP2.75
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 91632605) is 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is O=C(Cc1c(F)cccc1Cl)N1CCc2nc3ccc(F)cn3c(=O)c2C1.
What is the InChIKey of 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is IGDSLWCHQKZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-14-2-1-3-15(22)12(14)8-18(26)24-7-6-16-13(10-24)19(27)25-9-11(21)4-5-17(25)23-16/h1-5,9H,6-8,10H2.
What are the key properties of 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 389.79 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-fluorophenyl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 91632605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).