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

C23H21F4N3O4 — CID 118956864

IUPACN-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CC(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?/m0/s1
InChIKeyPUGGSILZMRXDJT-ZWBMPVGCSA-N
MW479.43 g/mol
LogP2.99
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118956864) has the molecular formula C23H21F4N3O4 and a molecular weight of 479.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID118956864
Molecular FormulaC23H21F4N3O4
Molecular Weight479.43 g/mol
Exact Mass479.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CC(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?/m0/s1
InChIKeyPUGGSILZMRXDJT-ZWBMPVGCSA-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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Related Compounds

2-[(1S,3S)-6-bromo-5-fluoro-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957329
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956996
2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide
CID 135203742
2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]-N-methylacetamide
CID 118958372
2-[(1R,3S)-1-fluoro-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957274
2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957318
2-(5-bromo-6-fluoro-2',3,5'-trioxospiro[2H-indene-1,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957153
2-[1,5-difluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118958086
2-(1,1-dihydroxy-6-methoxy-2',5'-dioxospiro[2H-1-benzothiophene-3,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957864
N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957462
2-[(3S)-2',5'-dioxo-6-(1H-pyrazol-4-yl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957124
N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]-2-(1-methyl-2',5'-dioxospiro[2,3-dihydroquinoline-4,4'-imidazolidine]-1'-yl)acetamide
CID 118956776

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118956864) is N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CC(O)c3ccccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is PUGGSILZMRXDJT-ZWBMPVGCSA-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?/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-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-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118956864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).