(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione

C16H12Br2N2O2 — CID 51860323

IUPAC(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12Br2N2O2/c17-10-5-1-3-7-12(10)19-13-9-15(21)20(16(13)22)14-8-4-2-6-11(14)18/h1-8,13,19H,9H2/t13-/m1/s1
InChIKeyPLGYWSHUJYEUQZ-CYBMUJFWSA-N
MW424.09 g/mol
LogP3.96
Rot. Bonds3

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

(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione (PubChem CID 51860323) has the molecular formula C16H12Br2N2O2 and a molecular weight of 424.09 g/mol. Its IUPAC name is (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
PubChem CID51860323
Molecular FormulaC16H12Br2N2O2
Molecular Weight424.09 g/mol
Exact Mass421.93
IUPAC Name(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12Br2N2O2/c17-10-5-1-3-7-12(10)19-13-9-15(21)20(16(13)22)14-8-4-2-6-11(14)18/h1-8,13,19H,9H2/t13-/m1/s1
InChIKeyPLGYWSHUJYEUQZ-CYBMUJFWSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione (CID 51860323) is (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1Br.
What is the InChIKey of (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione?
The InChIKey is PLGYWSHUJYEUQZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12Br2N2O2/c17-10-5-1-3-7-12(10)19-13-9-15(21)20(16(13)22)14-8-4-2-6-11(14)18/h1-8,13,19H,9H2/t13-/m1/s1.
What are the key properties of (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione?
(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione has a molecular weight of 424.09 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).