1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione

C13H13ClN2O2 — CID 2949824

IUPAC1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c14-8-1-5-10(6-2-8)16-12(17)7-11(13(16)18)15-9-3-4-9/h1-2,5-6,9,11,15H,3-4,7H2
InChIKeyFOZCFVNDEUQBLJ-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione (PubChem CID 2949824) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
PubChem CID2949824
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c14-8-1-5-10(6-2-8)16-12(17)7-11(13(16)18)15-9-3-4-9/h1-2,5-6,9,11,15H,3-4,7H2
InChIKeyFOZCFVNDEUQBLJ-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.72
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-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 3135056
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 71669978
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
[2-(4-chlorophenyl)-2-oxoethyl] 4-[3-[(1-benzylpiperidin-4-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21170123
1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 2997082
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione (CID 2949824) is 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione is O=C1CC(NC2CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione?
The InChIKey is FOZCFVNDEUQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-8-1-5-10(6-2-8)16-12(17)7-11(13(16)18)15-9-3-4-9/h1-2,5-6,9,11,15H,3-4,7H2.
What are the key properties of 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione has a molecular weight of 264.71 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2949824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).