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

C24H23F4N3O4 — CID 118957426

IUPACN-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CCC(O)c3ccccc32)C1=O)C(F)(F)F
InChIInChI=1S/C24H23F4N3O4/c1-14(24(26,27)28)30(12-15-6-8-16(25)9-7-15)20(33)13-31-21(34)23(29-22(31)35)11-10-19(32)17-4-2-3-5-18(17)23/h2-9,14,19,32H,10-13H2,1H3,(H,29,35)/t14-,19?,23?/m0/s1
InChIKeyFGVCHIVPXPDBQJ-HOBQQWQSSA-N
MW493.46 g/mol
LogP3.38
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118957426) has the molecular formula C24H23F4N3O4 and a molecular weight of 493.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID118957426
Molecular FormulaC24H23F4N3O4
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CCC(O)c3ccccc32)C1=O)C(F)(F)F
InChIInChI=1S/C24H23F4N3O4/c1-14(24(26,27)28)30(12-15-6-8-16(25)9-7-15)20(33)13-31-21(34)23(29-22(31)35)11-10-19(32)17-4-2-3-5-18(17)23/h2-9,14,19,32H,10-13H2,1H3,(H,29,35)/t14-,19?,23?/m0/s1
InChIKeyFGVCHIVPXPDBQJ-HOBQQWQSSA-N
XLogP3.38
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.38
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-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118957426) is N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-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[2,3-dihydro-1H-naphthalene-4,4'-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[2,3-dihydro-1H-naphthalene-4,4'-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(CCC(O)c3ccccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is FGVCHIVPXPDBQJ-HOBQQWQSSA-N. The full InChI is InChI=1S/C24H23F4N3O4/c1-14(24(26,27)28)30(12-15-6-8-16(25)9-7-15)20(33)13-31-21(34)23(29-22(31)35)11-10-19(32)17-4-2-3-5-18(17)23/h2-9,14,19,32H,10-13H2,1H3,(H,29,35)/t14-,19?,23?/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 493.46 g/mol, XLogP of 3.38, 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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118957426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).