3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one

C18H12Br2FNO3 — CID 155526680

IUPAC3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1
InChIInChI=1S/C18H12Br2FNO3/c1-9(23)15-16(10-3-2-4-11(19)7-10)22(18(25)17(15)24)14-6-5-12(20)8-13(14)21/h2-8,16,24H,1H3
InChIKeyGCFPGFUOEIYTMZ-UHFFFAOYSA-N
MW469.10 g/mol
LogP4.84
Rot. Bonds3

About 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one

3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 155526680) has the molecular formula C18H12Br2FNO3 and a molecular weight of 469.10 g/mol. Its IUPAC name is 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID155526680
Molecular FormulaC18H12Br2FNO3
Molecular Weight469.10 g/mol
Exact Mass466.92
IUPAC Name3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1
InChIInChI=1S/C18H12Br2FNO3/c1-9(23)15-16(10-3-2-4-11(19)7-10)22(18(25)17(15)24)14-6-5-12(20)8-13(14)21/h2-8,16,24H,1H3
InChIKeyGCFPGFUOEIYTMZ-UHFFFAOYSA-N
XLogP4.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.10
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 155526680) is 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1.
What is the InChIKey of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is GCFPGFUOEIYTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2FNO3/c1-9(23)15-16(10-3-2-4-11(19)7-10)22(18(25)17(15)24)14-6-5-12(20)8-13(14)21/h2-8,16,24H,1H3.
What are the key properties of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 469.10 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 155526680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).