N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide

C23H21F4N3O4 — CID 134327292

IUPACN-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](O)c3ccccc32)C1=O)C(F)(F)F
InChIInChI=1S/C23H21F4N3O4/c1-13(23(25,26)27)29(11-14-6-8-15(24)9-7-14)19(32)12-30-20(33)22(28-21(30)34)10-18(31)16-4-2-3-5-17(16)22/h2-9,13,18,31H,10-12H2,1H3,(H,28,34)/t13?,18-,22+/m1/s1
InChIKeyPUGGSILZMRXDJT-XORXUGKXSA-N
MW479.43 g/mol
LogP2.99
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 134327292) has the molecular formula C23H21F4N3O4 and a molecular weight of 479.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
PubChem CID134327292
Molecular FormulaC23H21F4N3O4
Molecular Weight479.43 g/mol
Exact Mass479.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](O)c3ccccc32)C1=O)C(F)(F)F
InChIInChI=1S/C23H21F4N3O4/c1-13(23(25,26)27)29(11-14-6-8-15(24)9-7-14)19(32)12-30-20(33)22(28-21(30)34)10-18(31)16-4-2-3-5-17(16)22/h2-9,13,18,31H,10-12H2,1H3,(H,28,34)/t13?,18-,22+/m1/s1
InChIKeyPUGGSILZMRXDJT-XORXUGKXSA-N
XLogP2.99
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 134327292) is N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](O)c3ccccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The InChIKey is PUGGSILZMRXDJT-XORXUGKXSA-N. The full InChI is InChI=1S/C23H21F4N3O4/c1-13(23(25,26)27)29(11-14-6-8-15(24)9-7-14)19(32)12-30-20(33)22(28-21(30)34)10-18(31)16-4-2-3-5-17(16)22/h2-9,13,18,31H,10-12H2,1H3,(H,28,34)/t13?,18-,22+/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 479.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 134327292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).