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

C16H15ClF3N3O3 — CID 156822887

IUPAC5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H15ClF3N3O3/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26)
InChIKeyAPELCBOXNMSIRZ-UHFFFAOYSA-N
MW389.76 g/mol
LogP2.75
Rot. Bonds3

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

5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156822887) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156822887
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Name5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H15ClF3N3O3/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26)
InChIKeyAPELCBOXNMSIRZ-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 156822887) is 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CCC1NC(=O)NC1=O.
What is the InChIKey of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is APELCBOXNMSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c1-7-9-5-10(16(18,19)20)11(17)4-8(9)6-23(7)13(24)3-2-12-14(25)22-15(26)21-12/h4-5,7,12H,2-3,6H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 389.76 g/mol, XLogP of 2.75, 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-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).