3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one

C23H17BrClNO3 — CID 171480842

IUPAC3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2)N1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H17BrClNO3/c24-19-8-4-5-17(13-19)21-14-23(28,18-6-2-1-3-7-18)26(22(21)27)29-15-16-9-11-20(25)12-10-16/h1-14,28H,15H2
InChIKeyIUFACADNJOKDEA-UHFFFAOYSA-N
MW470.75 g/mol
LogP5.31
Rot. Bonds5

About 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one

3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one (PubChem CID 171480842) has the molecular formula C23H17BrClNO3 and a molecular weight of 470.75 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one
PubChem CID171480842
Molecular FormulaC23H17BrClNO3
Molecular Weight470.75 g/mol
Exact Mass469.01
IUPAC Name3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2)N1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H17BrClNO3/c24-19-8-4-5-17(13-19)21-14-23(28,18-6-2-1-3-7-18)26(22(21)27)29-15-16-9-11-20(25)12-10-16/h1-14,28H,15H2
InChIKeyIUFACADNJOKDEA-UHFFFAOYSA-N
XLogP5.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one?
The IUPAC name of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one (CID 171480842) is 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one?
The canonical SMILES for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one is O=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2)N1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one?
The InChIKey is IUFACADNJOKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClNO3/c24-19-8-4-5-17(13-19)21-14-23(28,18-6-2-1-3-7-18)26(22(21)27)29-15-16-9-11-20(25)12-10-16/h1-14,28H,15H2.
What are the key properties of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one?
3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one has a molecular weight of 470.75 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methoxy]-5-hydroxy-5-phenylpyrrol-2-one is sourced from PubChem (CID 171480842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).