3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione

C17H14BrNO2 — CID 2865345

IUPAC3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14BrNO2/c18-14-8-6-12(7-9-14)10-13-11-16(20)19(17(13)21)15-4-2-1-3-5-15/h1-9,13H,10-11H2
InChIKeySUWHLEHAYOBXIL-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.57
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione

3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2865345) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2865345
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14BrNO2/c18-14-8-6-12(7-9-14)10-13-11-16(20)19(17(13)21)15-4-2-1-3-5-15/h1-9,13H,10-11H2
InChIKeySUWHLEHAYOBXIL-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-p-Bromophenylphthalimide
CID 101305
(2R,6S)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 44392243
2-(3-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2844277
2-(3-bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2855106
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
3-(3,5-Dimethylbenzyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione
CID 2974536
Succinimide, 2-benzyl-N-phenyl-
CID 622117
3-(3-Methylbenzyl)-1-phenyl-2,5-pyrrolidinedione
CID 2865632
Cambridge id 5785888
CID 2868210
1-(4-Methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 3117627
2-(3-bromo-4-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 3988234
N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 46902939

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione (CID 2865345) is 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SUWHLEHAYOBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-8-6-12(7-9-14)10-13-11-16(20)19(17(13)21)15-4-2-1-3-5-15/h1-9,13H,10-11H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 344.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2865345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).