(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione

C16H12Cl2N2O2 — CID 93235147

IUPAC(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-10-6-7-14(12(18)8-10)20-15(21)9-13(16(20)22)19-11-4-2-1-3-5-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeySDBZICHTUQCXEY-ZDUSSCGKSA-N
MW335.19 g/mol
LogP3.74
Rot. Bonds3

About (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione

(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 93235147) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID93235147
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-10-6-7-14(12(18)8-10)20-15(21)9-13(16(20)22)19-11-4-2-1-3-5-11/h1-8,13,19H,9H2/t13-/m0/s1
InChIKeySDBZICHTUQCXEY-ZDUSSCGKSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.74
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)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51860372
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 1332766
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780

Frequently Asked Questions

What is the IUPAC name of (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 93235147) is (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is SDBZICHTUQCXEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-10-6-7-14(12(18)8-10)20-15(21)9-13(16(20)22)19-11-4-2-1-3-5-11/h1-8,13,19H,9H2/t13-/m0/s1.
What are the key properties of (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 335.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).