2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C22H24FN3O3 — CID 8572195

IUPAC2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O3/c1-3-13-22(17-10-5-4-6-11-17)20(28)26(21(29)24-22)15-19(27)25(2)14-16-9-7-8-12-18(16)23/h4-12H,3,13-15H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyRNAHGYJKJZBKOM-QFIPXVFZSA-N
MW397.45 g/mol
LogP3.03
Rot. Bonds7

About 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 8572195) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID8572195
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O3/c1-3-13-22(17-10-5-4-6-11-17)20(28)26(21(29)24-22)15-19(27)25(2)14-16-9-7-8-12-18(16)23/h4-12H,3,13-15H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyRNAHGYJKJZBKOM-QFIPXVFZSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 17431429
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8521765
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 41170266
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8571043
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 8572195) is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is RNAHGYJKJZBKOM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-3-13-22(17-10-5-4-6-11-17)20(28)26(21(29)24-22)15-19(27)25(2)14-16-9-7-8-12-18(16)23/h4-12H,3,13-15H2,1-2H3,(H,24,29)/t22-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 397.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 8572195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).