3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione

C21H20Cl2N2O3 — CID 110598770

IUPAC3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC)C2=O)c1
InChIInChI=1S/C21H20Cl2N2O3/c1-3-10-28-15-7-5-6-14(12-15)24-19-18(20(26)25(4-2)21(19)27)16-9-8-13(22)11-17(16)23/h5-9,11-12,24H,3-4,10H2,1-2H3
InChIKeyYXQBANGZNDZEMR-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.99
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione (PubChem CID 110598770) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
PubChem CID110598770
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC Name3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC)C2=O)c1
InChIInChI=1S/C21H20Cl2N2O3/c1-3-10-28-15-7-5-6-14(12-15)24-19-18(20(26)25(4-2)21(19)27)16-9-8-13(22)11-17(16)23/h5-9,11-12,24H,3-4,10H2,1-2H3
InChIKeyYXQBANGZNDZEMR-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598798
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
1-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586021
3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110583912
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599728
3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598907
3-(3,4-dimethylphenyl)-4-(3-propoxyanilino)-1-propylpyrrole-2,5-dione
CID 110588825
3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110598834
3-(4-chlorophenyl)-4-(3-ethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110599322
3-(4-chlorophenyl)-1-(3-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599632
1-benzyl-3-(4-chlorophenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599210

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione (CID 110598770) is 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC)C2=O)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The InChIKey is YXQBANGZNDZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-3-10-28-15-7-5-6-14(12-15)24-19-18(20(26)25(4-2)21(19)27)16-9-8-13(22)11-17(16)23/h5-9,11-12,24H,3-4,10H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione has a molecular weight of 419.31 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110598770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).