(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione

C18H16Cl2N2O4 — CID 93235231

IUPAC(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c(OC)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-10-6-7-14(15(8-10)26-2)22-16(23)9-13(18(22)24)21-12-5-3-4-11(19)17(12)20/h3-8,13,21H,9H2,1-2H3/t13-/m1/s1
InChIKeyLWMKSPCCEMSIOX-CYBMUJFWSA-N
MW395.24 g/mol
LogP3.75
Rot. Bonds5

About (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 93235231) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID93235231
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c(OC)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-10-6-7-14(15(8-10)26-2)22-16(23)9-13(18(22)24)21-12-5-3-4-11(19)17(12)20/h3-8,13,21H,9H2,1-2H3/t13-/m1/s1
InChIKeyLWMKSPCCEMSIOX-CYBMUJFWSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione (CID 93235231) is (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c(OC)c1.
What is the InChIKey of (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is LWMKSPCCEMSIOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-25-10-6-7-14(15(8-10)26-2)22-16(23)9-13(18(22)24)21-12-5-3-4-11(19)17(12)20/h3-8,13,21H,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 395.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).