4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide

C16H16FNO3 — CID 22915452

IUPAC4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1cccc(-c2ccc(F)cc2)c1)NO
InChIInChI=1S/C16H16FNO3/c17-14-8-6-12(7-9-14)13-3-1-4-15(11-13)21-10-2-5-16(19)18-20/h1,3-4,6-9,11,20H,2,5,10H2,(H,18,19)
InChIKeyROJYUMMGMQRBJJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.16
Rot. Bonds6

About 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide

4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide (PubChem CID 22915452) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide
PubChem CID22915452
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1cccc(-c2ccc(F)cc2)c1)NO
InChIInChI=1S/C16H16FNO3/c17-14-8-6-12(7-9-14)13-3-1-4-15(11-13)21-10-2-5-16(19)18-20/h1,3-4,6-9,11,20H,2,5,10H2,(H,18,19)
InChIKeyROJYUMMGMQRBJJ-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide (CID 22915452) is 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide is O=C(CCCOc1cccc(-c2ccc(F)cc2)c1)NO.
What is the InChIKey of 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide?
The InChIKey is ROJYUMMGMQRBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-14-8-6-12(7-9-14)13-3-1-4-15(11-13)21-10-2-5-16(19)18-20/h1,3-4,6-9,11,20H,2,5,10H2,(H,18,19).
What are the key properties of 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide?
4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide has a molecular weight of 289.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)phenoxy]-N-hydroxybutanamide is sourced from PubChem (CID 22915452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).