3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one

C79H68Br3Cl2F3N6O12 — CID 173107938

IUPAC3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)c(Br)c1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(C(F)(F)F)nc1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1Cl.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1c1ccc(Br)cc1
InChIInChI=1S/C20H17Br2NO3.C20H17BrClNO3.C20H17F3N2O3.C19H17ClN2O3/c1-12(24)17-18(14-7-8-15(21)16(22)11-14)23(20(26)19(17)25)10-9-13-5-3-2-4-6-13;1-12(24)17-18(14-6-8-15(21)9-7-14)23(20(26)19(17)25)11-10-13-4-2-3-5-16(13)22;1-12(26)16-17(14-7-8-15(24-11-14)20(21,22)23)25(19(28)18(16)27)10-9-13-5-3-2-4-6-13;1-12(23)15-16(14-8-5-10-21-18(14)20)22(19(25)17(15)24)11-9-13-6-3-2-4-7-13/h2-8,11,18,25H,9-10H2,1H3;2-9,18,25H,10-11H2,1H3;2-8,11,17,27H,9-10H2,1H3;2-8,10,16,24H,9,11H2,1H3
InChIKeyUHAJRQQBAQLIGL-UHFFFAOYSA-N
MW1661.05 g/mol
LogP16.26
Rot. Bonds20

About 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one

3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one (PubChem CID 173107938) has the molecular formula C79H68Br3Cl2F3N6O12 and a molecular weight of 1661.05 g/mol. Its IUPAC name is 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one
PubChem CID173107938
Molecular FormulaC79H68Br3Cl2F3N6O12
Molecular Weight1661.05 g/mol
Exact Mass1656.18
IUPAC Name3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)c(Br)c1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(C(F)(F)F)nc1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1Cl.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1c1ccc(Br)cc1
InChIInChI=1S/C20H17Br2NO3.C20H17BrClNO3.C20H17F3N2O3.C19H17ClN2O3/c1-12(24)17-18(14-7-8-15(21)16(22)11-14)23(20(26)19(17)25)10-9-13-5-3-2-4-6-13;1-12(24)17-18(14-6-8-15(21)9-7-14)23(20(26)19(17)25)11-10-13-4-2-3-5-16(13)22;1-12(26)16-17(14-7-8-15(24-11-14)20(21,22)23)25(19(28)18(16)27)10-9-13-5-3-2-4-6-13;1-12(23)15-16(14-8-5-10-21-18(14)20)22(19(25)17(15)24)11-9-13-6-3-2-4-7-13/h2-8,11,18,25H,9-10H2,1H3;2-9,18,25H,10-11H2,1H3;2-8,11,17,27H,9-10H2,1H3;2-8,10,16,24H,9,11H2,1H3
InChIKeyUHAJRQQBAQLIGL-UHFFFAOYSA-N
XLogP16.26
TPSA256.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.05
LogP ≤ 516.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one (CID 173107938) is 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)c(Br)c1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(C(F)(F)F)nc1.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1Cl.CC(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1c1ccc(Br)cc1.
What is the InChIKey of 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one?
The InChIKey is UHAJRQQBAQLIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br2NO3.C20H17BrClNO3.C20H17F3N2O3.C19H17ClN2O3/c1-12(24)17-18(14-7-8-15(21)16(22)11-14)23(20(26)19(17)25)10-9-13-5-3-2-4-6-13;1-12(24)17-18(14-6-8-15(21)9-7-14)23(20(26)19(17)25)11-10-13-4-2-3-5-16(13)22;1-12(26)16-17(14-7-8-15(24-11-14)20(21,22)23)25(19(28)18(16)27)10-9-13-5-3-2-4-6-13;1-12(23)15-16(14-8-5-10-21-18(14)20)22(19(25)17(15)24)11-9-13-6-3-2-4-7-13/h2-8,11,18,25H,9-10H2,1H3;2-9,18,25H,10-11H2,1H3;2-8,11,17,27H,9-10H2,1H3;2-8,10,16,24H,9,11H2,1H3.
What are the key properties of 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one?
3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one has a molecular weight of 1661.05 g/mol, XLogP of 16.26, 20 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one is sourced from PubChem (CID 173107938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).