2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide

C25H22F5N3O4 — CID 118958242

IUPAC2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1ccc2c(c1F)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C2CC2)C(F)(F)F)C1=O
InChIInChI=1S/C25H22F5N3O4/c26-15-5-1-13(2-6-15)11-32(21(14-3-4-14)25(28,29)30)19(34)12-33-22(35)24(37-23(33)36)10-9-16-17(24)7-8-18(31)20(16)27/h1-2,5-8,14,21H,3-4,9-12,31H2/t21-,24?/m0/s1
InChIKeyGYGUMRVOUZTOMH-XEGCMXMBSA-N
MW523.46 g/mol
LogP4.04
Rot. Bonds6

About 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide

2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 118958242) has the molecular formula C25H22F5N3O4 and a molecular weight of 523.46 g/mol. Its IUPAC name is 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID118958242
Molecular FormulaC25H22F5N3O4
Molecular Weight523.46 g/mol
Exact Mass523.15
IUPAC Name2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1ccc2c(c1F)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C2CC2)C(F)(F)F)C1=O
InChIInChI=1S/C25H22F5N3O4/c26-15-5-1-13(2-6-15)11-32(21(14-3-4-14)25(28,29)30)19(34)12-33-22(35)24(37-23(33)36)10-9-16-17(24)7-8-18(31)20(16)27/h1-2,5-8,14,21H,3-4,9-12,31H2/t21-,24?/m0/s1
InChIKeyGYGUMRVOUZTOMH-XEGCMXMBSA-N
XLogP4.04
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 118958242) is 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide is Nc1ccc2c(c1F)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C2CC2)C(F)(F)F)C1=O.
What is the InChIKey of 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GYGUMRVOUZTOMH-XEGCMXMBSA-N. The full InChI is InChI=1S/C25H22F5N3O4/c26-15-5-1-13(2-6-15)11-32(21(14-3-4-14)25(28,29)30)19(34)12-33-22(35)24(37-23(33)36)10-9-16-17(24)7-8-18(31)20(16)27/h1-2,5-8,14,21H,3-4,9-12,31H2/t21-,24?/m0/s1.
What are the key properties of 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 523.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-7-fluoro-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 118958242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).