1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate

C23H26ClF3N4O5 — CID 165399100

About 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate

1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate (PubChem CID 165399100) has the molecular formula C23H26ClF3N4O5 and a molecular weight of 530.93 g/mol. Its IUPAC name is 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate
• PubChem CID: 165399100
• Molecular Formula: C23H26ClF3N4O5
• Molecular Weight: 530.93 g/mol
• Exact Mass: 530.15
• IUPAC Name: 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate
• SMILES: CC(OC(=O)N(C)C)N1C(=O)NC(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O
• InChI: InChI=1S/C23H26ClF3N4O5/c1-12(36-21(35)29(2)3)31-19(33)22(15-4-5-15,28-20(31)34)7-6-18(32)30-10-13-8-16(23(25,26)27)17(24)9-14(13)11-30/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,28,34)
• InChIKey: GUWOMKGZBQFXLB-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.93
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate?

The IUPAC name of 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate (CID 165399100) is 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate.

What is the SMILES notation for 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate?

The canonical SMILES for 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate is CC(OC(=O)N(C)C)N1C(=O)NC(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O.

What is the InChIKey of 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate?

The InChIKey is GUWOMKGZBQFXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O5/c1-12(36-21(35)29(2)3)31-19(33)22(15-4-5-15,28-20(31)34)7-6-18(32)30-10-13-8-16(23(25,26)27)17(24)9-14(13)11-30/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,28,34).

What are the key properties of 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate?

1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate has a molecular weight of 530.93 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 165399100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).