(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

C23H17BrFNO2 — CID 94073383

IUPAC(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C23H17BrFNO2/c1-14-5-7-15(8-6-14)20-21(16-3-2-4-17(24)13-16)26(23(28)22(20)27)19-11-9-18(25)10-12-19/h2-13,21,27H,1H3/t21-/m0/s1
InChIKeyIORNFGOOBWYWJK-NRFANRHFSA-N
MW438.30 g/mol
LogP5.95
Rot. Bonds3

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

(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 94073383) has the molecular formula C23H17BrFNO2 and a molecular weight of 438.30 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID94073383
Molecular FormulaC23H17BrFNO2
Molecular Weight438.30 g/mol
Exact Mass437.04
IUPAC Name(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C23H17BrFNO2/c1-14-5-7-15(8-6-14)20-21(16-3-2-4-17(24)13-16)26(23(28)22(20)27)19-11-9-18(25)10-12-19/h2-13,21,27H,1H3/t21-/m0/s1
InChIKeyIORNFGOOBWYWJK-NRFANRHFSA-N
XLogP5.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 122727617
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
(2R)-2-(4-ethylphenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073400
4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 94073198
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94073399
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317
2-(3-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 50773841
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830
(2S)-3-acetyl-4-hydroxy-2-(3-hydroxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 51854887
(2R)-2-(2-chlorophenyl)-4-hydroxy-1,3-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 94073203
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 94073383) is (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)cc1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is IORNFGOOBWYWJK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17BrFNO2/c1-14-5-7-15(8-6-14)20-21(16-3-2-4-17(24)13-16)26(23(28)22(20)27)19-11-9-18(25)10-12-19/h2-13,21,27H,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 438.30 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).