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

C17H15BrN2O2 — CID 98188346

IUPAC(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O
InChIInChI=1S/C17H15BrN2O2/c1-11-6-2-4-8-13(11)19-14-10-16(21)20(17(14)22)15-9-5-3-7-12(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyMLNXZSQVFXNNKQ-AWEZNQCLSA-N
MW359.22 g/mol
LogP3.50
Rot. Bonds3

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

(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (PubChem CID 98188346) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
PubChem CID98188346
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O
InChIInChI=1S/C17H15BrN2O2/c1-11-6-2-4-8-13(11)19-14-10-16(21)20(17(14)22)15-9-5-3-7-12(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1
InChIKeyMLNXZSQVFXNNKQ-AWEZNQCLSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.50
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

(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
CID 51860323
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
4-methyl-3-[(3R)-3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523325
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (CID 98188346) is (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione is Cc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O.
What is the InChIKey of (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is MLNXZSQVFXNNKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-6-2-4-8-13(11)19-14-10-16(21)20(17(14)22)15-9-5-3-7-12(15)18/h2-9,14,19H,10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 359.22 g/mol, XLogP of 3.50, 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-(2-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).