4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide

C19H20FNO2 — CID 111719918

IUPAC4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-9-15(10-12-17)5-4-8-19(23)21-14-13-18(22)16-6-2-1-3-7-16/h1-7,9-12,18,22H,8,13-14H2,(H,21,23)
InChIKeyVHMWNKXSKNTQJN-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.47
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide

4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide (PubChem CID 111719918) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
PubChem CID111719918
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-9-15(10-12-17)5-4-8-19(23)21-14-13-18(22)16-6-2-1-3-7-16/h1-7,9-12,18,22H,8,13-14H2,(H,21,23)
InChIKeyVHMWNKXSKNTQJN-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
CID 119170642
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide (CID 111719918) is 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide is O=C(CC=Cc1ccc(F)cc1)NCCC(O)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide?
The InChIKey is VHMWNKXSKNTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-11-9-15(10-12-17)5-4-8-19(23)21-14-13-18(22)16-6-2-1-3-7-16/h1-7,9-12,18,22H,8,13-14H2,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide?
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide is sourced from PubChem (CID 111719918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).