4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one

C22H17BrN2O — CID 3814831

IUPAC4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccccc2)=CC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C22H17BrN2O/c23-17-13-11-16(12-14-17)21-15-20(24-18-7-3-1-4-8-18)22(26)25(21)19-9-5-2-6-10-19/h1-15,21,24H
InChIKeyRLHPSKHRDKGWAZ-UHFFFAOYSA-N
MW405.30 g/mol
LogP5.53
Rot. Bonds4

About 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one

4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 3814831) has the molecular formula C22H17BrN2O and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID3814831
Molecular FormulaC22H17BrN2O
Molecular Weight405.30 g/mol
Exact Mass404.05
IUPAC Name4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccccc2)=CC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C22H17BrN2O/c23-17-13-11-16(12-14-17)21-15-20(24-18-7-3-1-4-8-18)22(26)25(21)19-9-5-2-6-10-19/h1-15,21,24H
InChIKeyRLHPSKHRDKGWAZ-UHFFFAOYSA-N
XLogP5.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.30
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one (CID 3814831) is 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one is O=C1C(Nc2ccccc2)=CC(c2ccc(Br)cc2)N1c1ccccc1.
What is the InChIKey of 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is RLHPSKHRDKGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O/c23-17-13-11-16(12-14-17)21-15-20(24-18-7-3-1-4-8-18)22(26)25(21)19-9-5-2-6-10-19/h1-15,21,24H.
What are the key properties of 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one?
4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 405.30 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-bromophenyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 3814831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).