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

C17H14ClFN2O3 — CID 45149279

IUPAC1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H14ClFN2O3/c1-24-12-5-2-10(3-6-12)20-15-9-16(22)21(17(15)23)11-4-7-14(19)13(18)8-11/h2-8,15,20H,9H2,1H3
InChIKeyFFYFISQGNKNUGS-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.23
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 45149279) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID45149279
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H14ClFN2O3/c1-24-12-5-2-10(3-6-12)20-15-9-16(22)21(17(15)23)11-4-7-14(19)13(18)8-11/h2-8,15,20H,9H2,1H3
InChIKeyFFYFISQGNKNUGS-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.23
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

1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (CID 45149279) is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is FFYFISQGNKNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-24-12-5-2-10(3-6-12)20-15-9-16(22)21(17(15)23)11-4-7-14(19)13(18)8-11/h2-8,15,20H,9H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 348.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 45149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).