N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C25H24F3N3O3 — CID 118957450

IUPACN-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)21(18-10-11-18)30(14-16-6-2-1-3-7-16)20(32)15-31-22(33)24(29-23(31)34)13-12-17-8-4-5-9-19(17)24/h1-9,18,21H,10-15H2,(H,29,34)/t21-,24+/m1/s1
InChIKeyJVABIZQXNGYQJF-QPPBQGQZSA-N
MW471.48 g/mol
LogP3.75
Rot. Bonds6

About N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 118957450) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID118957450
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)21(18-10-11-18)30(14-16-6-2-1-3-7-16)20(32)15-31-22(33)24(29-23(31)34)13-12-17-8-4-5-9-19(17)24/h1-9,18,21H,10-15H2,(H,29,34)/t21-,24+/m1/s1
InChIKeyJVABIZQXNGYQJF-QPPBQGQZSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
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 N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 118957450) is N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)[C@H](C1CC1)C(F)(F)F.
What is the InChIKey of N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is JVABIZQXNGYQJF-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)21(18-10-11-18)30(14-16-6-2-1-3-7-16)20(32)15-31-22(33)24(29-23(31)34)13-12-17-8-4-5-9-19(17)24/h1-9,18,21H,10-15H2,(H,29,34)/t21-,24+/m1/s1.
What are the key properties of N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 471.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 118957450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).