(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione

C19H19ClN2O2 — CID 1332766

IUPAC(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C
InChIInChI=1S/C19H19ClN2O2/c1-11-4-6-15(9-12(11)2)21-16-10-18(23)22(19(16)24)17-7-5-14(20)8-13(17)3/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1
InChIKeyYTGFGVVSDIXAGW-MRXNPFEDSA-N
MW342.83 g/mol
LogP4.01
Rot. Bonds3

About (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione

(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione (PubChem CID 1332766) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
PubChem CID1332766
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C
InChIInChI=1S/C19H19ClN2O2/c1-11-4-6-15(9-12(11)2)21-16-10-18(23)22(19(16)24)17-7-5-14(20)8-13(17)3/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1
InChIKeyYTGFGVVSDIXAGW-MRXNPFEDSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.01
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

3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51860372
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844459
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione (CID 1332766) is (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione is Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C.
What is the InChIKey of (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is YTGFGVVSDIXAGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-4-6-15(9-12(11)2)21-16-10-18(23)22(19(16)24)17-7-5-14(20)8-13(17)3/h4-9,16,21H,10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione?
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione has a molecular weight of 342.83 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 1332766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).