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

C18H16Cl2N2O2 — CID 43844879

IUPAC1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1NC1CC(=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
InChIKeyDFHYCWYRSRYVKZ-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.30
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 43844879) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
PubChem CID43844879
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1NC1CC(=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
InChIKeyDFHYCWYRSRYVKZ-UHFFFAOYSA-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

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 44561123
(S)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44561156
N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2872768
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986000
1-(3-Chloro-2-methylphenyl)-3-(hydroxy(phenyl)amino)pyrrolidine-2,5-dione
CID 662099
N-{2-[benzyl(methyl)amino]ethyl}-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3240700
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,6-dimethylphenyl)acetamide
CID 12005113
1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 24980383
1-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-1-oxohexan-2-yl]-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 44536095
(R)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44593421
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 16287187

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (CID 43844879) is 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is CCc1ccccc1NC1CC(=O)N(c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is DFHYCWYRSRYVKZ-UHFFFAOYSA-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.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
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 1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).