N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide

C22H21F2N3O4 — CID 52618242

About N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide

N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide (PubChem CID 52618242) has the molecular formula C22H21F2N3O4 and a molecular weight of 429.42 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
• PubChem CID: 52618242
• Molecular Formula: C22H21F2N3O4
• Molecular Weight: 429.42 g/mol
• Exact Mass: 429.15
• IUPAC Name: N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
• SMILES: CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1F
• InChI: InChI=1S/C22H21F2N3O4/c1-13-21(30)26(22(31)27(13)18-7-5-17(23)6-8-18)12-20(29)16-4-3-15(19(24)11-16)9-10-25-14(2)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,28)/t13-/m0/s1
• InChIKey: NZFVQRPLLSMWBG-ZDUSSCGKSA-N
• XLogP: 2.68
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.42
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?

The IUPAC name of N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide (CID 52618242) is N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide.

What is the SMILES notation for N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?

The canonical SMILES for N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1F.

What is the InChIKey of N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?

The InChIKey is NZFVQRPLLSMWBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21F2N3O4/c1-13-21(30)26(22(31)27(13)18-7-5-17(23)6-8-18)12-20(29)16-4-3-15(19(24)11-16)9-10-25-14(2)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,28)/t13-/m0/s1.

What are the key properties of N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?

N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 429.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 52618242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).