2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

C21H21F2N3O5 — CID 4602183

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C21H21F2N3O5/c1-3-30-15-10-6-14(7-11-15)24-17(27)12-26-18(28)21(2,25-20(26)29)13-4-8-16(9-5-13)31-19(22)23/h4-11,19H,3,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyXGJWGXUWKQTNPC-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.09
Rot. Bonds8

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 4602183) has the molecular formula C21H21F2N3O5 and a molecular weight of 433.41 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID4602183
Molecular FormulaC21H21F2N3O5
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C21H21F2N3O5/c1-3-30-15-10-6-14(7-11-15)24-17(27)12-26-18(28)21(2,25-20(26)29)13-4-8-16(9-5-13)31-19(22)23/h4-11,19H,3,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyXGJWGXUWKQTNPC-UHFFFAOYSA-N
XLogP3.09
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 4602183) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is XGJWGXUWKQTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5/c1-3-30-15-10-6-14(7-11-15)24-17(27)12-26-18(28)21(2,25-20(26)29)13-4-8-16(9-5-13)31-19(22)23/h4-11,19H,3,12H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 433.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 4602183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).