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

C24H14Cl2FNO3 — CID 139259848

IUPAC6,10-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
SMILESO=C1C2C3c4c(Cl)cccc4C(O)(c4cccc(Cl)c43)C2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H14Cl2FNO3/c25-15-8-2-6-13-17(15)19-18-14(7-3-9-16(18)26)24(13,31)21-20(19)22(29)28(23(21)30)12-5-1-4-11(27)10-12/h1-10,19-21,31H
InChIKeyNIOOYSDDEPPVPM-UHFFFAOYSA-N
MW454.28 g/mol
LogP4.63
Rot. Bonds1

About 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

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 (PubChem CID 139259848) has the molecular formula C24H14Cl2FNO3 and a molecular weight of 454.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,10-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
PubChem CID139259848
Molecular FormulaC24H14Cl2FNO3
Molecular Weight454.28 g/mol
Exact Mass453.03
IUPAC Name6,10-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
SMILESO=C1C2C3c4c(Cl)cccc4C(O)(c4cccc(Cl)c43)C2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H14Cl2FNO3/c25-15-8-2-6-13-17(15)19-18-14(7-3-9-16(18)26)24(13,31)21-20(19)22(29)28(23(21)30)12-5-1-4-11(27)10-12/h1-10,19-21,31H
InChIKeyNIOOYSDDEPPVPM-UHFFFAOYSA-N
XLogP4.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1C2C3c4c(Cl)cccc4C(O)(c4cccc(Cl)c43)C2C(=O)N1c1cccc(F)c1.
What is the InChIKey of 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?
The InChIKey is NIOOYSDDEPPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2FNO3/c25-15-8-2-6-13-17(15)19-18-14(7-3-9-16(18)26)24(13,31)21-20(19)22(29)28(23(21)30)12-5-1-4-11(27)10-12/h1-10,19-21,31H.
What are the key properties of 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?
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 has a molecular weight of 454.28 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139259848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).