2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C19H17FN2O3 — CID 108642910

IUPAC2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-2-15(23)16-17(13-5-7-14(20)8-6-13)22(19(25)18(16)24)11-12-4-3-9-21-10-12/h3-10,17,24H,2,11H2,1H3
InChIKeyWAOOWMLNLZPGCX-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108642910) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID108642910
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-2-15(23)16-17(13-5-7-14(20)8-6-13)22(19(25)18(16)24)11-12-4-3-9-21-10-12/h3-10,17,24H,2,11H2,1H3
InChIKeyWAOOWMLNLZPGCX-UHFFFAOYSA-N
XLogP3.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2908271
4-hydroxy-2-(3-phenoxyphenyl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108712344
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 3141387
4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108660074
3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
4-hydroxy-3-(2-methylpropanoyl)-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108602289
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711310
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108630940
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108576626
(2R)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 1130667

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 108642910) is 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is WAOOWMLNLZPGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-15(23)16-17(13-5-7-14(20)8-6-13)22(19(25)18(16)24)11-12-4-3-9-21-10-12/h3-10,17,24H,2,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 340.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108642910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).