(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

C23H17F2NO2 — CID 94073480

IUPAC(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C23H17F2NO2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(25)13-9-17)26(23(28)22(20)27)14-15-4-2-1-3-5-15/h1-13,21,27H,14H2/t21-/m1/s1
InChIKeySWVXNPKITSVHOP-OAQYLSRUSA-N
MW377.39 g/mol
LogP5.02
Rot. Bonds4

About (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 94073480) has the molecular formula C23H17F2NO2 and a molecular weight of 377.39 g/mol. Its IUPAC name is (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID94073480
Molecular FormulaC23H17F2NO2
Molecular Weight377.39 g/mol
Exact Mass377.12
IUPAC Name(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C23H17F2NO2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(25)13-9-17)26(23(28)22(20)27)14-15-4-2-1-3-5-15/h1-13,21,27H,14H2/t21-/m1/s1
InChIKeySWVXNPKITSVHOP-OAQYLSRUSA-N
XLogP5.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
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)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94072981
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982151
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298
2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 45031837
4-[1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774285
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 94073480) is (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is SWVXNPKITSVHOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17F2NO2/c24-18-10-6-16(7-11-18)20-21(17-8-12-19(25)13-9-17)26(23(28)22(20)27)14-15-4-2-1-3-5-15/h1-13,21,27H,14H2/t21-/m1/s1.
What are the key properties of (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 377.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 94073480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).