3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione

C17H14BrNO2 — CID 11725029

IUPAC3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)CC(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H14BrNO2/c1-11-5-2-3-8-15(11)19-16(20)10-14(17(19)21)12-6-4-7-13(18)9-12/h2-9,14H,10H2,1H3
InChIKeyWCYDXGUHLMMXDU-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.80
Rot. Bonds2

About 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione

3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 11725029) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID11725029
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)CC(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H14BrNO2/c1-11-5-2-3-8-15(11)19-16(20)10-14(17(19)21)12-6-4-7-13(18)9-12/h2-9,14H,10H2,1H3
InChIKeyWCYDXGUHLMMXDU-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.80
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

(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3066587
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
CID 135770218
(3R)-1-(3-bromophenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 1220420
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 122395021
(3S)-1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitrophenyl]-3-phenylpyrrolidine-2,5-dione
CID 98365151
(3R)-1-(3-methylphenyl)-3-[4-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 9499712
(3S)-1-(3-methylphenyl)-3-[4-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 8000632

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione (CID 11725029) is 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione is Cc1ccccc1N1C(=O)CC(c2cccc(Br)c2)C1=O.
What is the InChIKey of 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is WCYDXGUHLMMXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11-5-2-3-8-15(11)19-16(20)10-14(17(19)21)12-6-4-7-13(18)9-12/h2-9,14H,10H2,1H3.
What are the key properties of 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione?
3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 344.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 11725029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).