3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C15H19ClN2O2 — CID 61043290

IUPAC3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C(C)C)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-9(2)18-14(19)8-13(15(18)20)17-10(3)11-5-4-6-12(16)7-11/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyORXSTKBMPMCUMP-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds4

About 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 61043290) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID61043290
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C(C)C)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-9(2)18-14(19)8-13(15(18)20)17-10(3)11-5-4-6-12(16)7-11/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyORXSTKBMPMCUMP-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
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

3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358017
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 61043290) is 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(NC1CC(=O)N(C(C)C)C1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is ORXSTKBMPMCUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9(2)18-14(19)8-13(15(18)20)17-10(3)11-5-4-6-12(16)7-11/h4-7,9-10,13,17H,8H2,1-3H3.
What are the key properties of 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 294.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 61043290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).