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

C18H16Cl2N2O3 — CID 2877269

IUPAC1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-3-11(4-7-13)21-16-10-17(23)22(18(16)24)12-5-8-14(19)15(20)9-12/h3-9,16,21H,2,10H2,1H3
InChIKeyJRRGWWQWYHOWOX-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.14
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (PubChem CID 2877269) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
PubChem CID2877269
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-3-11(4-7-13)21-16-10-17(23)22(18(16)24)12-5-8-14(19)15(20)9-12/h3-9,16,21H,2,10H2,1H3
InChIKeyJRRGWWQWYHOWOX-UHFFFAOYSA-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
(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)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (CID 2877269) is 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is CCOc1ccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JRRGWWQWYHOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-2-25-13-6-3-11(4-7-13)21-16-10-17(23)22(18(16)24)12-5-8-14(19)15(20)9-12/h3-9,16,21H,2,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)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 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).