17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C24H16FNO2 — CID 3981745

IUPAC17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H16FNO2/c25-13-6-5-7-14(12-13)26-23(27)21-19-15-8-1-2-9-16(15)20(22(21)24(26)28)18-11-4-3-10-17(18)19/h1-12,19-22H
InChIKeyKNTDIVQVHBQROP-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.22
Rot. Bonds1

About 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 3981745) has the molecular formula C24H16FNO2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID3981745
Molecular FormulaC24H16FNO2
Molecular Weight369.40 g/mol
Exact Mass369.12
IUPAC Name17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H16FNO2/c25-13-6-5-7-14(12-13)26-23(27)21-19-15-8-1-2-9-16(15)20(22(21)24(26)28)18-11-4-3-10-17(18)19/h1-12,19-22H
InChIKeyKNTDIVQVHBQROP-UHFFFAOYSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.22
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 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 3981745) is 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1cccc(F)c1.
What is the InChIKey of 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is KNTDIVQVHBQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO2/c25-13-6-5-7-14(12-13)26-23(27)21-19-15-8-1-2-9-16(15)20(22(21)24(26)28)18-11-4-3-10-17(18)19/h1-12,19-22H.
What are the key properties of 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 369.40 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(3-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 3981745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).