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

C24H15F2NO3 — CID 139259818

IUPAC17-(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
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1c(F)cccc1F
InChIInChI=1S/C24H15F2NO3/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
InChIKeyNHKWJZWBHKFYRF-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.47
Rot. Bonds1

About 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

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 (PubChem CID 139259818) has the molecular formula C24H15F2NO3 and a molecular weight of 403.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-(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
PubChem CID139259818
Molecular FormulaC24H15F2NO3
Molecular Weight403.38 g/mol
Exact Mass403.10
IUPAC Name17-(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
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1c(F)cccc1F
InChIInChI=1S/C24H15F2NO3/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
InChIKeyNHKWJZWBHKFYRF-UHFFFAOYSA-N
XLogP3.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1c(F)cccc1F.
What is the InChIKey of 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?
The InChIKey is NHKWJZWBHKFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2NO3/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-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?
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 has a molecular weight of 403.38 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139259818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).