4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide

C16H14FNO3 — CID 51186783

IUPAC4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H14FNO3/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)18-13-5-7-14(19)8-6-13/h1-8,19H,9-10H2,(H,18,21)
InChIKeySHLIKDOEYCNRHI-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.13
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide (PubChem CID 51186783) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
PubChem CID51186783
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H14FNO3/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)18-13-5-7-14(19)8-6-13/h1-8,19H,9-10H2,(H,18,21)
InChIKeySHLIKDOEYCNRHI-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
2-methylpropyl 4-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108795614
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide (CID 51186783) is 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide?
The InChIKey is SHLIKDOEYCNRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)18-13-5-7-14(19)8-6-13/h1-8,19H,9-10H2,(H,18,21).
What are the key properties of 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide has a molecular weight of 287.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 51186783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).