4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide

C16H18FN3O3 — CID 86835368

IUPAC4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C16H18FN3O3/c17-12-4-1-3-11-10(12)6-7-13(11)19-14(21)5-2-8-20-15(22)9-18-16(20)23/h1,3-4,13H,2,5-9H2,(H,18,23)(H,19,21)
InChIKeyIXTGLVCYFWEEFP-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.26
Rot. Bonds5

About 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide

4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide (PubChem CID 86835368) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
PubChem CID86835368
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C16H18FN3O3/c17-12-4-1-3-11-10(12)6-7-13(11)19-14(21)5-2-8-20-15(22)9-18-16(20)23/h1,3-4,13H,2,5-9H2,(H,18,23)(H,19,21)
InChIKeyIXTGLVCYFWEEFP-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418
4-(1,3-dioxoisoindol-2-yl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]butanamide
CID 25417435
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 95622362
2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97101391
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide (CID 86835368) is 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide is O=C(CCCN1C(=O)CNC1=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The InChIKey is IXTGLVCYFWEEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-4-1-3-11-10(12)6-7-13(11)19-14(21)5-2-8-20-15(22)9-18-16(20)23/h1,3-4,13H,2,5-9H2,(H,18,23)(H,19,21).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide has a molecular weight of 319.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide is sourced from PubChem (CID 86835368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).