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

C16H11Cl3N2O2 — CID 51860357

IUPAC(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2O2/c17-9-4-6-10(7-5-9)20-12-8-14(22)21(16(12)23)13-3-1-2-11(18)15(13)19/h1-7,12,20H,8H2/t12-/m0/s1
InChIKeyLHWQQGLSFZCNIX-LBPRGKRZSA-N
MW369.64 g/mol
LogP4.39
Rot. Bonds3

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

(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 51860357) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID51860357
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Name(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2O2/c17-9-4-6-10(7-5-9)20-12-8-14(22)21(16(12)23)13-3-1-2-11(18)15(13)19/h1-7,12,20H,8H2/t12-/m0/s1
InChIKeyLHWQQGLSFZCNIX-LBPRGKRZSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.39
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-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 43844870
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione (CID 51860357) is (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is LHWQQGLSFZCNIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c17-9-4-6-10(7-5-9)20-12-8-14(22)21(16(12)23)13-3-1-2-11(18)15(13)19/h1-7,12,20H,8H2/t12-/m0/s1.
What are the key properties of (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 369.64 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).