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

C18H19BrFNO3 — CID 10111333

IUPAC3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1
InChIInChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
InChIKeyARZUMHIABDHPTN-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.28
Rot. Bonds3

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

3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 10111333) has the molecular formula C18H19BrFNO3 and a molecular weight of 396.26 g/mol. Its IUPAC name is 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID10111333
Molecular FormulaC18H19BrFNO3
Molecular Weight396.26 g/mol
Exact Mass395.05
IUPAC Name3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1
InChIInChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
InChIKeyARZUMHIABDHPTN-UHFFFAOYSA-N
XLogP4.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-(1-hydroxyethylidene)-1-(4-methylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 3798520
4-acetyl-1-benzyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2890632
4-Acetyl-1,5-bis-(4-bromo-phenyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one
CID 2868262
4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3796276
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1,5-dihydro-3-hydroxy-1-(4-methylphenyl)-
CID 9857981
3-butanoyl-2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 9902578
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(4-ethylphenyl)-1,5-dihydro-3-hydroxy-
CID 9967166
3-acetyl-2-cyclohexyl-1-(2-fluoro-4-methylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 9967349
2-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 10132885
3-acetyl-2-cyclohexyl-4-hydroxy-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 10133557
2H-Pyrrol-2-one, 4-acetyl-1-(4-bromophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
CID 10293022
3-acetyl-2-cyclohexyl-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 12093163

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (CID 10111333) is 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1.
What is the InChIKey of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is ARZUMHIABDHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3.
What are the key properties of 3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 396.26 g/mol, XLogP of 4.28, 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-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 10111333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).