3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one

C17H14BrNO2 — CID 14790403

IUPAC3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESCOC1=C(Br)C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14BrNO2/c1-21-16-14(18)15(12-8-4-2-5-9-12)19(17(16)20)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyVBQUEDMUGFQJLS-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.03
Rot. Bonds3

About 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one

3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one (PubChem CID 14790403) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
PubChem CID14790403
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESCOC1=C(Br)C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14BrNO2/c1-21-16-14(18)15(12-8-4-2-5-9-12)19(17(16)20)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyVBQUEDMUGFQJLS-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(4E)-1-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678546
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 4638719
(2R)-3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 949634
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 802741
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 108638867

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one?
The IUPAC name of 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one (CID 14790403) is 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one is COC1=C(Br)C(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one?
The InChIKey is VBQUEDMUGFQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-16-14(18)15(12-8-4-2-5-9-12)19(17(16)20)13-10-6-3-7-11-13/h2-11,15H,1H3.
What are the key properties of 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one?
3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one has a molecular weight of 344.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 14790403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).