(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C21H16FNO3 — CID 94073597

IUPAC(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C21H16FNO3/c22-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)20(24)21(25)23(19)13-17-7-4-12-26-17/h1-12,19,24H,13H2/t19-/m0/s1
InChIKeyZHIDECOUQIHHNM-IBGZPJMESA-N
MW349.36 g/mol
LogP4.47
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 94073597) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID94073597
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C21H16FNO3/c22-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)20(24)21(25)23(19)13-17-7-4-12-26-17/h1-12,19,24H,13H2/t19-/m0/s1
InChIKeyZHIDECOUQIHHNM-IBGZPJMESA-N
XLogP4.47
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 51982240
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94072981
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982151
(4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 6121259
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
3-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017842
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052654
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 94073597) is (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(F)cc2)N1Cc1ccco1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is ZHIDECOUQIHHNM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16FNO3/c22-16-10-8-15(9-11-16)19-18(14-5-2-1-3-6-14)20(24)21(25)23(19)13-17-7-4-12-26-17/h1-12,19,24H,13H2/t19-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 349.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94073597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).