6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C20H12FNO2 — CID 882704

IUPAC6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(F)cc1)CC3
InChIInChI=1S/C20H12FNO2/c21-13-5-7-14(8-6-13)22-19(23)15-9-3-11-1-2-12-4-10-16(20(22)24)18(15)17(11)12/h3-10H,1-2H2
InChIKeyDEAUCZVMTUUUJO-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.88
Rot. Bonds1

About 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 882704) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID882704
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(F)cc1)CC3
InChIInChI=1S/C20H12FNO2/c21-13-5-7-14(8-6-13)22-19(23)15-9-3-11-1-2-12-4-10-16(20(22)24)18(15)17(11)12/h3-10H,1-2H2
InChIKeyDEAUCZVMTUUUJO-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 882704) is 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(F)cc1)CC3.
What is the InChIKey of 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is DEAUCZVMTUUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-13-5-7-14(8-6-13)22-19(23)15-9-3-11-1-2-12-4-10-16(20(22)24)18(15)17(11)12/h3-10H,1-2H2.
What are the key properties of 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 317.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 882704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).