9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide

C30H34FNO4 — CID 58536968

IUPAC9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCCOC(c1ccccc1)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C30H34FNO4/c1-2-36-30(24-11-7-6-8-12-24,26-19-21-27(31)22-20-26)25-17-15-23(16-18-25)28(33)13-9-4-3-5-10-14-29(34)32-35/h6-8,11-12,15-22,35H,2-5,9-10,13-14H2,1H3,(H,32,34)
InChIKeyRBYZDDJYSQAJNA-UHFFFAOYSA-N
MW491.60 g/mol
LogP6.57
Rot. Bonds14

About 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536968) has the molecular formula C30H34FNO4 and a molecular weight of 491.60 g/mol. Its IUPAC name is 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536968
Molecular FormulaC30H34FNO4
Molecular Weight491.60 g/mol
Exact Mass491.25
IUPAC Name9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCCOC(c1ccccc1)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C30H34FNO4/c1-2-36-30(24-11-7-6-8-12-24,26-19-21-27(31)22-20-26)25-17-15-23(16-18-25)28(33)13-9-4-3-5-10-14-29(34)32-35/h6-8,11-12,15-22,35H,2-5,9-10,13-14H2,1H3,(H,32,34)
InChIKeyRBYZDDJYSQAJNA-UHFFFAOYSA-N
XLogP6.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 56.57
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536968) is 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide is CCOC(c1ccccc1)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1.
What is the InChIKey of 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is RBYZDDJYSQAJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO4/c1-2-36-30(24-11-7-6-8-12-24,26-19-21-27(31)22-20-26)25-17-15-23(16-18-25)28(33)13-9-4-3-5-10-14-29(34)32-35/h6-8,11-12,15-22,35H,2-5,9-10,13-14H2,1H3,(H,32,34).
What are the key properties of 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 491.60 g/mol, XLogP of 6.57, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).