3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione

C12H13ClN2O2 — CID 81352768

IUPAC3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1
InChIKeyBZKVZCHTKIUEMA-PVSHWOEXSA-N
MW252.70 g/mol
LogP1.41
Rot. Bonds3

About 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione

3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione (PubChem CID 81352768) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
PubChem CID81352768
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1
InChIKeyBZKVZCHTKIUEMA-PVSHWOEXSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81348257
3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 66244482
3-(1-thiophen-3-ylethylamino)pyrrolidine-2,5-dione
CID 62840128
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67749051
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 106388110
3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
CID 54866793
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione (CID 81352768) is 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione is C[C@@H](NC1CC(=O)NC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is BZKVZCHTKIUEMA-PVSHWOEXSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7(8-2-4-9(13)5-3-8)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 252.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 81352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).