3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide

C18H20FNO3 — CID 19868736

IUPAC3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21)
InChIKeyNQEBJTGOUOHXDJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.96
Rot. Bonds6

About 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide

3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide (PubChem CID 19868736) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide.

Molecular Properties

Compound Name3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
PubChem CID19868736
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21)
InChIKeyNQEBJTGOUOHXDJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.96
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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Related Compounds

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CID 2466
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A-161906
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N-hydroxy-7-(naphthalen-2-yloxy)heptanamide
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(1R,2S)-1-{[4-(but-2-yn-1-yloxy)phenyl]methyl}-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 24799957
methyl (1R,2S)-1-{[4-(benzyloxy)phenyl]methyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24860419
N-methyl-2-oxo-8-(4-phenylphenoxy)octanamide
CID 44341043
2-(4-Benzyloxy-phenyl)-N-hydroxy-acetamide
CID 14545018
3-(4-Butoxyphenyl)-3-(3-fluorophenyl)propanoic acid
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ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 24799954

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The IUPAC name of 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide (CID 19868736) is 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide.
What is the SMILES notation for 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The canonical SMILES for 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide is CC(CC(=O)NO)c1ccc(OC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The InChIKey is NQEBJTGOUOHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide has a molecular weight of 317.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide is sourced from PubChem (CID 19868736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).