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

C21H21F2N3O4 — CID 32762583

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H21F2N3O4/c1-21(14-3-5-15(22)6-4-14)19(28)26(20(29)24-21)13-18(27)25(2)11-12-30-17-9-7-16(23)8-10-17/h3-10H,11-13H2,1-2H3,(H,24,29)/t21-/m0/s1
InChIKeyQEOKHQWRUBNAIU-NRFANRHFSA-N
MW417.41 g/mol
LogP2.27
Rot. Bonds7

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

N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 32762583) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID32762583
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H21F2N3O4/c1-21(14-3-5-15(22)6-4-14)19(28)26(20(29)24-21)13-18(27)25(2)11-12-30-17-9-7-16(23)8-10-17/h3-10H,11-13H2,1-2H3,(H,24,29)/t21-/m0/s1
InChIKeyQEOKHQWRUBNAIU-NRFANRHFSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204
3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-methylamino]propanoic acid
CID 119362736
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55883584
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
N-butyl-N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 32762583) is N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is QEOKHQWRUBNAIU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-21(14-3-5-15(22)6-4-14)19(28)26(20(29)24-21)13-18(27)25(2)11-12-30-17-9-7-16(23)8-10-17/h3-10H,11-13H2,1-2H3,(H,24,29)/t21-/m0/s1.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 417.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 32762583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).