5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

C15H13ClF3N3O3 — CID 156823232

IUPAC5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)N1
InChIInChI=1S/C15H13ClF3N3O3/c16-10-4-8-6-22(5-7(8)3-9(10)15(17,18)19)12(23)2-1-11-13(24)21-14(25)20-11/h3-4,11H,1-2,5-6H2,(H2,20,21,24,25)
InChIKeyDHZLLKAYIFVHTI-UHFFFAOYSA-N
MW375.73 g/mol
LogP2.19
Rot. Bonds3

About 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823232) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823232
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC Name5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)N1
InChIInChI=1S/C15H13ClF3N3O3/c16-10-4-8-6-22(5-7(8)3-9(10)15(17,18)19)12(23)2-1-11-13(24)21-14(25)20-11/h3-4,11H,1-2,5-6H2,(H2,20,21,24,25)
InChIKeyDHZLLKAYIFVHTI-UHFFFAOYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 156823232) is 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)N1.
What is the InChIKey of 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is DHZLLKAYIFVHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c16-10-4-8-6-22(5-7(8)3-9(10)15(17,18)19)12(23)2-1-11-13(24)21-14(25)20-11/h3-4,11H,1-2,5-6H2,(H2,20,21,24,25).
What are the key properties of 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 375.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).