2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

C21H25FN4O3 — CID 7621415

IUPAC2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C21H25FN4O3/c1-3-4-11-21(15-7-9-16(22)10-8-15)18(28)26(19(29)25-21)12-17(27)24-20(2,13-23)14-5-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,29)/t20-,21-/m1/s1
InChIKeyJEQXIQYRLZTHLQ-NHCUHLMSSA-N
MW400.45 g/mol
LogP2.57
Rot. Bonds8

About 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7621415) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7621415
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C21H25FN4O3/c1-3-4-11-21(15-7-9-16(22)10-8-15)18(28)26(19(29)25-21)12-17(27)24-20(2,13-23)14-5-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,29)/t20-,21-/m1/s1
InChIKeyJEQXIQYRLZTHLQ-NHCUHLMSSA-N
XLogP2.57
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.57
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-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47082493
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180255
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetamide
CID 52516692
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (CID 7621415) is 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O.
What is the InChIKey of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is JEQXIQYRLZTHLQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-3-4-11-21(15-7-9-16(22)10-8-15)18(28)26(19(29)25-21)12-17(27)24-20(2,13-23)14-5-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,29)/t20-,21-/m1/s1.
What are the key properties of 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7621415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).