3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione

C12H13ClN2O2 — CID 71670669

IUPAC3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(16)15-12(10)17/h1-3,6,10,14H,4-5,7H2,(H,15,16,17)
InChIKeyWWMKRODUGXQBEL-UHFFFAOYSA-N
MW252.70 g/mol
LogP0.89
Rot. Bonds4

About 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione

3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 71670669) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID71670669
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(16)15-12(10)17/h1-3,6,10,14H,4-5,7H2,(H,15,16,17)
InChIKeyWWMKRODUGXQBEL-UHFFFAOYSA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
CID 106173593
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
CID 107317317
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
CID 63966409
N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine
CID 69343769
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 98610737

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione (CID 71670669) is 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is WWMKRODUGXQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(16)15-12(10)17/h1-3,6,10,14H,4-5,7H2,(H,15,16,17).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione?
3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 252.70 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 71670669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).