(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

C24H19ClFNO2 — CID 94073298

IUPAC(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-12-20(26)13-9-18)27(24(29)23(21)28)14-16-4-10-19(25)11-5-16/h2-13,22,28H,14H2,1H3/t22-/m1/s1
InChIKeySOVFQDOSJORITM-JOCHJYFZSA-N
MW407.87 g/mol
LogP5.84
Rot. Bonds4

About (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 94073298) has the molecular formula C24H19ClFNO2 and a molecular weight of 407.87 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID94073298
Molecular FormulaC24H19ClFNO2
Molecular Weight407.87 g/mol
Exact Mass407.11
IUPAC Name(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-12-20(26)13-9-18)27(24(29)23(21)28)14-16-4-10-19(25)11-5-16/h2-13,22,28H,14H2,1H3/t22-/m1/s1
InChIKeySOVFQDOSJORITM-JOCHJYFZSA-N
XLogP5.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 45031837
(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-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
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
4-[1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774285
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774227
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072858
(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
2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 50743696
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071971

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 94073298) is (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is SOVFQDOSJORITM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-12-20(26)13-9-18)27(24(29)23(21)28)14-16-4-10-19(25)11-5-16/h2-13,22,28H,14H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 407.87 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).