9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

C23H28FNO4 — CID 58536980

IUPAC9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESC[C@](O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyZJGSFSOUUZATJH-HSZRJFAPSA-N
MW401.48 g/mol
LogP4.50
Rot. Bonds11

About 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536980) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536980
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Name9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESC[C@](O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyZJGSFSOUUZATJH-HSZRJFAPSA-N
XLogP4.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536980) is 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is C[C@](O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1.
What is the InChIKey of 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is ZJGSFSOUUZATJH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27)/t23-/m1/s1.
What are the key properties of 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 401.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).