(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

C18H17ClN2O3 — CID 51860269

IUPAC(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-24-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3/t15-/m1/s1
InChIKeyWLECKEDPHQKFTK-OAHLLOKOSA-N
MW344.80 g/mol
LogP3.48
Rot. Bonds5

About (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (PubChem CID 51860269) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
PubChem CID51860269
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-24-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3/t15-/m1/s1
InChIKeyWLECKEDPHQKFTK-OAHLLOKOSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(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
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (CID 51860269) is (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is CCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is WLECKEDPHQKFTK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-24-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 344.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).