4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide

C12H16FNO3 — CID 59568815

IUPAC4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide
SMILESCCOC(CCC(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-2-17-11(7-8-12(15)14-16)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H,14,15)
InChIKeyMAAZEUMWYOIXTC-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.19
Rot. Bonds6

About 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide

4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide (PubChem CID 59568815) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide
PubChem CID59568815
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide
SMILESCCOC(CCC(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-2-17-11(7-8-12(15)14-16)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H,14,15)
InChIKeyMAAZEUMWYOIXTC-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.19
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-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide?
The IUPAC name of 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide (CID 59568815) is 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide.
What is the SMILES notation for 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide?
The canonical SMILES for 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide is CCOC(CCC(=O)NO)c1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide?
The InChIKey is MAAZEUMWYOIXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-17-11(7-8-12(15)14-16)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide?
4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide has a molecular weight of 241.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide is sourced from PubChem (CID 59568815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).