[(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate

C30H37ClF3N3O7 — CID 165399107

About [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate

[(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 165399107) has the molecular formula C30H37ClF3N3O7 and a molecular weight of 644.09 g/mol. Its IUPAC name is [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 165399107
• Molecular Formula: C30H37ClF3N3O7
• Molecular Weight: 644.09 g/mol
• Exact Mass: 643.23
• IUPAC Name: [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OCN1C(=O)N(COC(=O)C(C)(C)C)[C@](CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O
• InChI: InChI=1S/C30H37ClF3N3O7/c1-27(2,3)24(40)43-15-36-23(39)29(19-7-8-19,37(26(36)42)16-44-25(41)28(4,5)6)10-9-22(38)35-13-17-11-20(30(32,33)34)21(31)12-18(17)14-35/h11-12,19H,7-10,13-16H2,1-6H3/t29-/m1/s1
• InChIKey: DQSFPYKPBMXGKA-GDLZYMKVSA-N
• XLogP: 5.49
• TPSA: 113.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.09
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate (CID 165399107) is [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCN1C(=O)N(COC(=O)C(C)(C)C)[C@](CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O.

What is the InChIKey of [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is DQSFPYKPBMXGKA-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H37ClF3N3O7/c1-27(2,3)24(40)43-15-36-23(39)29(19-7-8-19,37(26(36)42)16-44-25(41)28(4,5)6)10-9-22(38)35-13-17-11-20(30(32,33)34)21(31)12-18(17)14-35/h11-12,19H,7-10,13-16H2,1-6H3/t29-/m1/s1.

What are the key properties of [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate?

[(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 644.09 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-3-(2,2-dimethylpropanoyloxymethyl)-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 165399107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).