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

C24H30FNO4 — CID 58536993

IUPAC9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(C)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C24H30FNO4/c1-24(30-2,20-14-16-21(25)17-15-20)19-12-10-18(11-13-19)22(27)8-6-4-3-5-7-9-23(28)26-29/h10-17,29H,3-9H2,1-2H3,(H,26,28)
InChIKeyNUUUQFIPBPVMRT-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.15
Rot. Bonds12

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

9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536993) has the molecular formula C24H30FNO4 and a molecular weight of 415.51 g/mol. Its IUPAC name is 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536993
Molecular FormulaC24H30FNO4
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(C)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C24H30FNO4/c1-24(30-2,20-14-16-21(25)17-15-20)19-12-10-18(11-13-19)22(27)8-6-4-3-5-7-9-23(28)26-29/h10-17,29H,3-9H2,1-2H3,(H,26,28)
InChIKeyNUUUQFIPBPVMRT-UHFFFAOYSA-N
XLogP5.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
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-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536993) is 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide is COC(C)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1.
What is the InChIKey of 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is NUUUQFIPBPVMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO4/c1-24(30-2,20-14-16-21(25)17-15-20)19-12-10-18(11-13-19)22(27)8-6-4-3-5-7-9-23(28)26-29/h10-17,29H,3-9H2,1-2H3,(H,26,28).
What are the key properties of 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 415.51 g/mol, XLogP of 5.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(4-fluorophenyl)-1-methoxyethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).