2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide

C23H26FN3O3 — CID 8571043

IUPAC2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H26FN3O3/c1-4-16-6-8-17(9-7-16)14-26(3)20(28)15-27-21(29)23(5-2,25-22(27)30)18-10-12-19(24)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyLBYXVOOVBVHNJB-QHCPKHFHSA-N
MW411.48 g/mol
LogP3.20
Rot. Bonds7

About 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide

2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide (PubChem CID 8571043) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
PubChem CID8571043
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H26FN3O3/c1-4-16-6-8-17(9-7-16)14-26(3)20(28)15-27-21(29)23(5-2,25-22(27)30)18-10-12-19(24)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyLBYXVOOVBVHNJB-QHCPKHFHSA-N
XLogP3.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.20
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

2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51879775
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 4680291
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 6599595

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide (CID 8571043) is 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide is CCc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The InChIKey is LBYXVOOVBVHNJB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-4-16-6-8-17(9-7-16)14-26(3)20(28)15-27-21(29)23(5-2,25-22(27)30)18-10-12-19(24)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)/t23-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide has a molecular weight of 411.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 8571043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).