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

C20H18Cl2N2O3 — CID 110598798

IUPAC3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-3-9-27-14-6-4-5-13(11-14)23-18-17(19(25)24(2)20(18)26)15-8-7-12(21)10-16(15)22/h4-8,10-11,23H,3,9H2,1-2H3
InChIKeyGJUBIMFMIDMHFM-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.60
Rot. Bonds6

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

3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione (PubChem CID 110598798) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione
PubChem CID110598798
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-3-9-27-14-6-4-5-13(11-14)23-18-17(19(25)24(2)20(18)26)15-8-7-12(21)10-16(15)22/h4-8,10-11,23H,3,9H2,1-2H3
InChIKeyGJUBIMFMIDMHFM-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.60
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-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598770
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599728
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
1-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586021
3-(4-chlorophenyl)-1-(3-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599632
3-(3,4-dimethylphenyl)-4-(3-propoxyanilino)-1-propylpyrrole-2,5-dione
CID 110588825
1-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586722
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598614
3-(4-chlorophenyl)-4-(3-ethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110599322
3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598397

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione (CID 110598798) is 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
The InChIKey is GJUBIMFMIDMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-3-9-27-14-6-4-5-13(11-14)23-18-17(19(25)24(2)20(18)26)15-8-7-12(21)10-16(15)22/h4-8,10-11,23H,3,9H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione has a molecular weight of 405.28 g/mol, XLogP of 4.60, 6 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-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110598798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).