(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione

C19H20N2O2 — CID 51859892

IUPAC(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C19H20N2O2/c1-12-8-6-10-17(14(12)3)21-18(22)11-16(19(21)23)20-15-9-5-4-7-13(15)2/h4-10,16,20H,11H2,1-3H3/t16-/m1/s1
InChIKeyVMWKRWXLXQPQDG-MRXNPFEDSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds3

About (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione

(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (PubChem CID 51859892) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
PubChem CID51859892
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C19H20N2O2/c1-12-8-6-10-17(14(12)3)21-18(22)11-16(19(21)23)20-15-9-5-4-7-13(15)2/h4-10,16,20H,11H2,1-3H3/t16-/m1/s1
InChIKeyVMWKRWXLXQPQDG-MRXNPFEDSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
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-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
3-(cyclopropylamino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670678
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
4-methyl-3-[(3R)-3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523325
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 93235170
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione (CID 51859892) is (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione is Cc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is VMWKRWXLXQPQDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-8-6-10-17(14(12)3)21-18(22)11-16(19(21)23)20-15-9-5-4-7-13(15)2/h4-10,16,20H,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione?
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51859892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).