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

C24H20FNO3 — CID 50743760

IUPAC2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2F)c1
InChIInChI=1S/C24H20FNO3/c1-29-18-11-7-8-16(14-18)15-26-22(19-12-5-6-13-20(19)25)21(23(27)24(26)28)17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3
InChIKeyAUKOITZWDIOFMH-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.89
Rot. Bonds5

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

2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 50743760) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID50743760
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2F)c1
InChIInChI=1S/C24H20FNO3/c1-29-18-11-7-8-16(14-18)15-26-22(19-12-5-6-13-20(19)25)21(23(27)24(26)28)17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3
InChIKeyAUKOITZWDIOFMH-UHFFFAOYSA-N
XLogP4.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 51982049
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
(2R)-2-(2-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 51982056
3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50743717
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072943
(2R)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072942
(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072902
(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073057
(2R)-2-(4-chlorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072938
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072965

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 50743760) is 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is AUKOITZWDIOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-29-18-11-7-8-16(14-18)15-26-22(19-12-5-6-13-20(19)25)21(23(27)24(26)28)17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 389.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 50743760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).