4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C11H14FNO3 — CID 59568769

IUPAC4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCOC(CCC(=O)NO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO3/c1-16-10(5-6-11(14)13-15)8-3-2-4-9(12)7-8/h2-4,7,10,15H,5-6H2,1H3,(H,13,14)
InChIKeyQCQUSHKZLWDEQK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.80
Rot. Bonds5

About 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide

4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 59568769) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID59568769
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCOC(CCC(=O)NO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO3/c1-16-10(5-6-11(14)13-15)8-3-2-4-9(12)7-8/h2-4,7,10,15H,5-6H2,1H3,(H,13,14)
InChIKeyQCQUSHKZLWDEQK-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 59568769) is 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide is COC(CCC(=O)NO)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is QCQUSHKZLWDEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-16-10(5-6-11(14)13-15)8-3-2-4-9(12)7-8/h2-4,7,10,15H,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 227.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 59568769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).