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

C18H16Cl2N2O2 — CID 98188367

IUPAC(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-6-3-4-8-13(11)21-14-10-16(23)22(18(14)24)15-9-5-7-12(19)17(15)20/h3-9,14,21H,2,10H2,1H3/t14-/m0/s1
InChIKeyDFHYCWYRSRYVKZ-AWEZNQCLSA-N
MW363.24 g/mol
LogP4.30
Rot. Bonds4

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

(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 98188367) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
PubChem CID98188367
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-6-3-4-8-13(11)21-14-10-16(23)22(18(14)24)15-9-5-7-12(19)17(15)20/h3-9,14,21H,2,10H2,1H3/t14-/m0/s1
InChIKeyDFHYCWYRSRYVKZ-AWEZNQCLSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.30
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

1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(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
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 43844870
3-(2-ethoxyanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 43844529

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (CID 98188367) is (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is DFHYCWYRSRYVKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-11-6-3-4-8-13(11)21-14-10-16(23)22(18(14)24)15-9-5-7-12(19)17(15)20/h3-9,14,21H,2,10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 363.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).