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

C20H21BrFNO3 — CID 155521447

IUPAC1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1
InChIInChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
InChIKeyRNACQQZSXILTHA-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.67
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 155521447) has the molecular formula C20H21BrFNO3 and a molecular weight of 422.29 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID155521447
Molecular FormulaC20H21BrFNO3
Molecular Weight422.29 g/mol
Exact Mass421.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1
InChIInChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
InChIKeyRNACQQZSXILTHA-UHFFFAOYSA-N
XLogP4.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.67
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-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 155521447) is 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RNACQQZSXILTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one?
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 422.29 g/mol, XLogP of 4.67, 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-cyclohexyl-3-(cyclopropanecarbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 155521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).