ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate

C23H24FN3O5 — CID 55355208

IUPACethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C23H24FN3O5/c1-3-23(16-10-12-17(24)13-11-16)21(30)27(22(31)25-23)14-19(28)26(15-20(29)32-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,31)
InChIKeyCCIYVBBWZUGOPB-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.58
Rot. Bonds8

About ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate

ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate (PubChem CID 55355208) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
PubChem CID55355208
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Nameethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C23H24FN3O5/c1-3-23(16-10-12-17(24)13-11-16)21(30)27(22(31)25-23)14-19(28)26(15-20(29)32-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,31)
InChIKeyCCIYVBBWZUGOPB-UHFFFAOYSA-N
XLogP2.58
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
N-(2-cyanoethyl)-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2099551
ethyl 2-(N-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355319
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenyl-N-prop-2-enylacetamide
CID 51215251
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553
N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46582965
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 4680291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate (CID 55355208) is ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate?
The InChIKey is CCIYVBBWZUGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-3-23(16-10-12-17(24)13-11-16)21(30)27(22(31)25-23)14-19(28)26(15-20(29)32-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,31).
What are the key properties of ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate has a molecular weight of 441.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate is sourced from PubChem (CID 55355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).