4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide

C19H20FNO3 — CID 111471521

IUPAC4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)17(22)10-11-19(24)21-13-12-18(23)14-4-2-1-3-5-14/h1-9,18,23H,10-13H2,(H,21,24)
InChIKeyYOBWVPWVOOYDHI-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.03
Rot. Bonds8

About 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide (PubChem CID 111471521) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
PubChem CID111471521
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)17(22)10-11-19(24)21-13-12-18(23)14-4-2-1-3-5-14/h1-9,18,23H,10-13H2,(H,21,24)
InChIKeyYOBWVPWVOOYDHI-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
CID 111719918
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide (CID 111471521) is 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCCC(O)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide?
The InChIKey is YOBWVPWVOOYDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)17(22)10-11-19(24)21-13-12-18(23)14-4-2-1-3-5-14/h1-9,18,23H,10-13H2,(H,21,24).
What are the key properties of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide has a molecular weight of 329.37 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide is sourced from PubChem (CID 111471521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).