1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione

C17H15IN2O3 — CID 2877177

IUPAC1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C17H15IN2O3/c1-23-14-8-4-12(5-9-14)19-15-10-16(21)20(17(15)22)13-6-2-11(18)3-7-13/h2-9,15,19H,10H2,1H3
InChIKeyYYOWJLNAEPMGTL-UHFFFAOYSA-N
MW422.22 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione

1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 2877177) has the molecular formula C17H15IN2O3 and a molecular weight of 422.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID2877177
Molecular FormulaC17H15IN2O3
Molecular Weight422.22 g/mol
Exact Mass422.01
IUPAC Name1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C17H15IN2O3/c1-23-14-8-4-12(5-9-14)19-15-10-16(21)20(17(15)22)13-6-2-11(18)3-7-13/h2-9,15,19H,10H2,1H3
InChIKeyYYOWJLNAEPMGTL-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 53.04
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
(3S)-1-(4-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 986889
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-1-(4-iodophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 40588175
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (CID 2877177) is 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(c3ccc(I)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is YYOWJLNAEPMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O3/c1-23-14-8-4-12(5-9-14)19-15-10-16(21)20(17(15)22)13-6-2-11(18)3-7-13/h2-9,15,19H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 422.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).