4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione

C17H10ClFN2O3 — CID 75489167

IUPAC4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
SMILESO=C1CC(c2ccc(F)c(Cl)c2)c2c(nc3ccccn3c2=O)O1
InChIInChI=1S/C17H10ClFN2O3/c18-11-7-9(4-5-12(11)19)10-8-14(22)24-16-15(10)17(23)21-6-2-1-3-13(21)20-16/h1-7,10H,8H2
InChIKeyIBNLBDISCGKWCV-UHFFFAOYSA-N
MW344.73 g/mol
LogP2.93
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione

4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione (PubChem CID 75489167) has the molecular formula C17H10ClFN2O3 and a molecular weight of 344.73 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
PubChem CID75489167
Molecular FormulaC17H10ClFN2O3
Molecular Weight344.73 g/mol
Exact Mass344.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
SMILESO=C1CC(c2ccc(F)c(Cl)c2)c2c(nc3ccccn3c2=O)O1
InChIInChI=1S/C17H10ClFN2O3/c18-11-7-9(4-5-12(11)19)10-8-14(22)24-16-15(10)17(23)21-6-2-1-3-13(21)20-16/h1-7,10H,8H2
InChIKeyIBNLBDISCGKWCV-UHFFFAOYSA-N
XLogP2.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione (CID 75489167) is 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione is O=C1CC(c2ccc(F)c(Cl)c2)c2c(nc3ccccn3c2=O)O1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The InChIKey is IBNLBDISCGKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O3/c18-11-7-9(4-5-12(11)19)10-8-14(22)24-16-15(10)17(23)21-6-2-1-3-13(21)20-16/h1-7,10H,8H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione has a molecular weight of 344.73 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione is sourced from PubChem (CID 75489167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).