17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C24H16FNO3 — CID 85250901

IUPAC17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H16FNO3/c25-13-9-11-14(12-10-13)26-22(27)20-19-15-5-1-3-7-17(15)24(29,21(20)23(26)28)18-8-4-2-6-16(18)19/h1-12,19-21,29H
InChIKeyJRFJAVRSEYGUMJ-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.33
Rot. Bonds1

About 17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 85250901) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 17-(4-fluorophenyl)-1-hydroxy-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-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID85250901
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H16FNO3/c25-13-9-11-14(12-10-13)26-22(27)20-19-15-5-1-3-7-17(15)24(29,21(20)23(26)28)18-8-4-2-6-16(18)19/h1-12,19-21,29H
InChIKeyJRFJAVRSEYGUMJ-UHFFFAOYSA-N
XLogP3.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

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Related Compounds

17-(4-Fluorophenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2859583
17-(4-Fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 6617743
17-(2-Fluorophenyl)-1-(hydroxyethyl)-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<1 5,19>]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3125586
1-Hydroxy-17-[4-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 85226519
17-(3-Fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856289
(1R,8S,9S,13R)-11-(5-fluoro-2-methylphenyl)-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 122400117
1,3,13-Trihydroxy-17-[4-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 139259257
17-(2,6-Difluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139259818
3-Chloro-17-(2,6-difluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 139259829
3,13-Dichloro-17-(3-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 139259842
6,10-Dichloro-17-(3-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 139259848
3,6,10,13-Tetrachloro-17-(3-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139259857

Frequently Asked Questions

What is the IUPAC name of 17-(4-fluorophenyl)-1-hydroxy-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-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 85250901) is 17-(4-fluorophenyl)-1-hydroxy-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-(4-fluorophenyl)-1-hydroxy-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-(4-fluorophenyl)-1-hydroxy-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(O)(c4ccccc43)C2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 17-(4-fluorophenyl)-1-hydroxy-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 JRFJAVRSEYGUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c25-13-9-11-14(12-10-13)26-22(27)20-19-15-5-1-3-7-17(15)24(29,21(20)23(26)28)18-8-4-2-6-16(18)19/h1-12,19-21,29H.
What are the key properties of 17-(4-fluorophenyl)-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
17-(4-fluorophenyl)-1-hydroxy-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 385.39 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-fluorophenyl)-1-hydroxy-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 85250901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).