(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione

C16H12BrClN2O2 — CID 51860316

IUPAC(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrClN2O2/c17-12-6-1-2-7-14(12)20-15(21)9-13(16(20)22)19-11-5-3-4-10(18)8-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeyPVDPLBQQFHXKNZ-ZDUSSCGKSA-N
MW379.64 g/mol
LogP3.85
Rot. Bonds3

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

(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione (PubChem CID 51860316) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
PubChem CID51860316
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrClN2O2/c17-12-6-1-2-7-14(12)20-15(21)9-13(16(20)22)19-11-5-3-4-10(18)8-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeyPVDPLBQQFHXKNZ-ZDUSSCGKSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
CID 51860323
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 43844870
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione (CID 51860316) is (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1Br.
What is the InChIKey of (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione?
The InChIKey is PVDPLBQQFHXKNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c17-12-6-1-2-7-14(12)20-15(21)9-13(16(20)22)19-11-5-3-4-10(18)8-11/h1-8,13,19H,9H2/t13-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione?
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione has a molecular weight of 379.64 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).