[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate

C20H17F2N3O6 — CID 17484747

IUPAC[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C20H17F2N3O6/c1-20(11-3-6-13(30-2)7-4-11)18(28)25(19(29)23-20)24-16(26)10-31-17(27)14-8-5-12(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyNVRAVQNTZULGCV-UHFFFAOYSA-N
MW433.37 g/mol
LogP1.63
Rot. Bonds6

About [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate

[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 17484747) has the molecular formula C20H17F2N3O6 and a molecular weight of 433.37 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID17484747
Molecular FormulaC20H17F2N3O6
Molecular Weight433.37 g/mol
Exact Mass433.11
IUPAC Name[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C20H17F2N3O6/c1-20(11-3-6-13(30-2)7-4-11)18(28)25(19(29)23-20)24-16(26)10-31-17(27)14-8-5-12(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyNVRAVQNTZULGCV-UHFFFAOYSA-N
XLogP1.63
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155562908
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95769523
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200265
2-[ethyl-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 55446747
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664817

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate (CID 17484747) is [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate is COc1ccc(C2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is NVRAVQNTZULGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O6/c1-20(11-3-6-13(30-2)7-4-11)18(28)25(19(29)23-20)24-16(26)10-31-17(27)14-8-5-12(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,29)(H,24,26).
What are the key properties of [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate?
[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 433.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 17484747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).