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

C18H16Cl2N2O2 — CID 98188112

IUPAC(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)22-17(23)10-16(18(22)24)21-15-8-5-12(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m1/s1
InChIKeyHOIGTFCZVGPALM-MRXNPFEDSA-N
MW363.24 g/mol
LogP4.30
Rot. Bonds4

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

(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 98188112) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID98188112
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)22-17(23)10-16(18(22)24)21-15-8-5-12(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m1/s1
InChIKeyHOIGTFCZVGPALM-MRXNPFEDSA-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

(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51860372
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844459
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (CID 98188112) is (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HOIGTFCZVGPALM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)22-17(23)10-16(18(22)24)21-15-8-5-12(19)9-14(15)20/h3-9,16,21H,2,10H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)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 (3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).