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

C25H22FNO2 — CID 94072901

IUPAC(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
SMILESCc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H22FNO2/c1-16-3-7-18(8-4-16)15-27-23(20-11-13-21(26)14-12-20)22(24(28)25(27)29)19-9-5-17(2)6-10-19/h3-14,23,28H,15H2,1-2H3/t23-/m0/s1
InChIKeyNTPJRWHZYZTJBG-QHCPKHFHSA-N
MW387.45 g/mol
LogP5.50
Rot. Bonds4

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

(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 94072901) has the molecular formula C25H22FNO2 and a molecular weight of 387.45 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
PubChem CID94072901
Molecular FormulaC25H22FNO2
Molecular Weight387.45 g/mol
Exact Mass387.16
IUPAC Name(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
SMILESCc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H22FNO2/c1-16-3-7-18(8-4-16)15-27-23(20-11-13-21(26)14-12-20)22(24(28)25(27)29)19-9-5-17(2)6-10-19/h3-14,23,28H,15H2,1-2H3/t23-/m0/s1
InChIKeyNTPJRWHZYZTJBG-QHCPKHFHSA-N
XLogP5.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(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
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
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
4-[4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774191
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one (CID 94072901) is (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one is Cc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one?
The InChIKey is NTPJRWHZYZTJBG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22FNO2/c1-16-3-7-18(8-4-16)15-27-23(20-11-13-21(26)14-12-20)22(24(28)25(27)29)19-9-5-17(2)6-10-19/h3-14,23,28H,15H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one?
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 387.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 94072901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).