1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione

C18H17ClN2O2 — CID 2850027

IUPAC1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-14-7-4-8-15(11-14)21-17(22)12-16(18(21)23)20-10-9-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2
InChIKeyBDFJEVSZDGLBGP-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione (PubChem CID 2850027) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
PubChem CID2850027
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-14-7-4-8-15(11-14)21-17(22)12-16(18(21)23)20-10-9-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2
InChIKeyBDFJEVSZDGLBGP-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 17324706
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 3962498
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792666
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 2833582
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione (CID 2850027) is 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione is O=C1CC(NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The InChIKey is BDFJEVSZDGLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-14-7-4-8-15(11-14)21-17(22)12-16(18(21)23)20-10-9-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2.
What are the key properties of 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione has a molecular weight of 328.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2850027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).