(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C18H16Cl2N2O3 — CID 51860191

IUPAC(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-4-12(5-7-13)22-17(23)10-16(18(22)24)21-15-8-3-11(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m0/s1
InChIKeyVUCSVXWBUURLRM-INIZCTEOSA-N
MW379.24 g/mol
LogP4.14
Rot. Bonds5

About (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 51860191) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID51860191
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-4-12(5-7-13)22-17(23)10-16(18(22)24)21-15-8-3-11(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m0/s1
InChIKeyVUCSVXWBUURLRM-INIZCTEOSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
(3S)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860190
(3R)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 98188196
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279544
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
(3R)-3-[2-(2-chlorophenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1022386
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 51860191) is (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is VUCSVXWBUURLRM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-4-12(5-7-13)22-17(23)10-16(18(22)24)21-15-8-3-11(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 379.24 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).