9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide

C28H29F2NO4 — CID 58536952

IUPAC9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO
InChIInChI=1S/C28H29F2NO4/c29-24-10-6-8-22(18-24)28(34,23-9-7-11-25(30)19-23)21-16-14-20(15-17-21)26(32)12-4-2-1-3-5-13-27(33)31-35/h6-11,14-19,34-35H,1-5,12-13H2,(H,31,33)
InChIKeyIKEXEBJCBNHGOI-UHFFFAOYSA-N
MW481.54 g/mol
LogP5.67
Rot. Bonds12

About 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536952) has the molecular formula C28H29F2NO4 and a molecular weight of 481.54 g/mol. Its IUPAC name is 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536952
Molecular FormulaC28H29F2NO4
Molecular Weight481.54 g/mol
Exact Mass481.21
IUPAC Name9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO
InChIInChI=1S/C28H29F2NO4/c29-24-10-6-8-22(18-24)28(34,23-9-7-11-25(30)19-23)21-16-14-20(15-17-21)26(32)12-4-2-1-3-5-13-27(33)31-35/h6-11,14-19,34-35H,1-5,12-13H2,(H,31,33)
InChIKeyIKEXEBJCBNHGOI-UHFFFAOYSA-N
XLogP5.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.54
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536952) is 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide is O=C(CCCCCCCC(=O)c1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO.
What is the InChIKey of 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is IKEXEBJCBNHGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2NO4/c29-24-10-6-8-22(18-24)28(34,23-9-7-11-25(30)19-23)21-16-14-20(15-17-21)26(32)12-4-2-1-3-5-13-27(33)31-35/h6-11,14-19,34-35H,1-5,12-13H2,(H,31,33).
What are the key properties of 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 481.54 g/mol, XLogP of 5.67, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).