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

C24H15Cl2NO3 — CID 85200170

IUPAC17-(2,6-dichlorophenyl)-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)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C24H15Cl2NO3/c25-16-10-5-11-17(26)21(16)27-22(28)19-18-12-6-1-3-8-14(12)24(30,20(19)23(27)29)15-9-4-2-7-13(15)18/h1-11,18-20,30H
InChIKeyUUYBSAXPYZNFFM-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.49
Rot. Bonds1

About 17-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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 85200170) has the molecular formula C24H15Cl2NO3 and a molecular weight of 436.29 g/mol. Its IUPAC name is 17-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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 CID85200170
Molecular FormulaC24H15Cl2NO3
Molecular Weight436.29 g/mol
Exact Mass435.04
IUPAC Name17-(2,6-dichlorophenyl)-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)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C24H15Cl2NO3/c25-16-10-5-11-17(26)21(16)27-22(28)19-18-12-6-1-3-8-14(12)24(30,20(19)23(27)29)15-9-4-2-7-13(15)18/h1-11,18-20,30H
InChIKeyUUYBSAXPYZNFFM-UHFFFAOYSA-N
XLogP4.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-(2,6-dichlorophenyl)-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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Frequently Asked Questions

What is the IUPAC name of 17-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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 85200170) is 17-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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)N1c1c(Cl)cccc1Cl.
What is the InChIKey of 17-(2,6-dichlorophenyl)-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 UUYBSAXPYZNFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO3/c25-16-10-5-11-17(26)21(16)27-22(28)19-18-12-6-1-3-8-14(12)24(30,20(19)23(27)29)15-9-4-2-7-13(15)18/h1-11,18-20,30H.
What are the key properties of 17-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-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 436.29 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2,6-dichlorophenyl)-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 85200170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).