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

C11H11ClN2O3 — CID 43637753

IUPAC3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H11ClN2O3/c1-17-9-3-2-6(4-7(9)12)13-8-5-10(15)14-11(8)16/h2-4,8,13H,5H2,1H3,(H,14,15,16)
InChIKeyMBKNKTWRPXISEW-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.18
Rot. Bonds3

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

3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 43637753) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID43637753
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H11ClN2O3/c1-17-9-3-2-6(4-7(9)12)13-8-5-10(15)14-11(8)16/h2-4,8,13H,5H2,1H3,(H,14,15,16)
InChIKeyMBKNKTWRPXISEW-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
CID 65467432
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
CID 146573113
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione
CID 43637820
3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione
CID 83077917
4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 79309843
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyrrolidine-2,5-dione
CID 43637809
3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
CID 60933972
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione (CID 43637753) is 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)NC2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is MBKNKTWRPXISEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-9-3-2-6(4-7(9)12)13-8-5-10(15)14-11(8)16/h2-4,8,13H,5H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione?
3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 254.67 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).