N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide

C16H17FN4O5 — CID 8626634

IUPACN-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN4O5/c1-2-7-20-14(24)15(25)21(16(20)26)9-13(23)18-8-12(22)19-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyPOLNHZWROUUJHL-UHFFFAOYSA-N
MW364.33 g/mol
LogP0.08
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide

N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide (PubChem CID 8626634) has the molecular formula C16H17FN4O5 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
PubChem CID8626634
Molecular FormulaC16H17FN4O5
Molecular Weight364.33 g/mol
Exact Mass364.12
IUPAC NameN-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN4O5/c1-2-7-20-14(24)15(25)21(16(20)26)9-13(23)18-8-12(22)19-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyPOLNHZWROUUJHL-UHFFFAOYSA-N
XLogP0.08
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
CID 8626617
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626264
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379902
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
N-(4-fluorophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 2578408
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide (CID 8626634) is N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide is CCCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide?
The InChIKey is POLNHZWROUUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O5/c1-2-7-20-14(24)15(25)21(16(20)26)9-13(23)18-8-12(22)19-11-5-3-10(17)4-6-11/h3-6H,2,7-9H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide has a molecular weight of 364.33 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 8626634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).