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

C20H14Br2FNO3 — CID 155514261

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1
InChIInChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
InChIKeyLZRAWLGPIYPQSJ-UHFFFAOYSA-N
MW495.14 g/mol
LogP5.23
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 155514261) has the molecular formula C20H14Br2FNO3 and a molecular weight of 495.14 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID155514261
Molecular FormulaC20H14Br2FNO3
Molecular Weight495.14 g/mol
Exact Mass492.93
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1
InChIInChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
InChIKeyLZRAWLGPIYPQSJ-UHFFFAOYSA-N
XLogP5.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.14
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 155514261) is 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is LZRAWLGPIYPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 495.14 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 155514261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).