4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide

C12H16FNO3 — CID 59568817

IUPAC4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
SMILESCOC(CCC(=O)NO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-8-3-4-9(7-10(8)13)11(17-2)5-6-12(15)14-16/h3-4,7,11,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyGQIFPMRWGJTDOY-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.11
Rot. Bonds5

About 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide

4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 59568817) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID59568817
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
SMILESCOC(CCC(=O)NO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-8-3-4-9(7-10(8)13)11(17-2)5-6-12(15)14-16/h3-4,7,11,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyGQIFPMRWGJTDOY-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.11
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-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide (CID 59568817) is 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide is COC(CCC(=O)NO)c1ccc(C)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is GQIFPMRWGJTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8-3-4-9(7-10(8)13)11(17-2)5-6-12(15)14-16/h3-4,7,11,16H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide?
4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 241.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 59568817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).