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

C25H21F2N3O5 — CID 3965161

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H21F2N3O5/c1-25(16-7-11-20(12-8-16)35-23(26)27)22(32)30(24(33)29-25)15-21(31)28-17-9-13-19(14-10-17)34-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,28,31)(H,29,33)
InChIKeyVNBKMQNSYWVRPU-UHFFFAOYSA-N
MW481.46 g/mol
LogP4.49
Rot. Bonds8

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

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 3965161) has the molecular formula C25H21F2N3O5 and a molecular weight of 481.46 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID3965161
Molecular FormulaC25H21F2N3O5
Molecular Weight481.46 g/mol
Exact Mass481.14
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H21F2N3O5/c1-25(16-7-11-20(12-8-16)35-23(26)27)22(32)30(24(33)29-25)15-21(31)28-17-9-13-19(14-10-17)34-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,28,31)(H,29,33)
InChIKeyVNBKMQNSYWVRPU-UHFFFAOYSA-N
XLogP4.49
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-(4-chlorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42982854
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
CID 98419931
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 42964194
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4993844
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7264849
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 45355769
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2585004
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 3965161) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is VNBKMQNSYWVRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O5/c1-25(16-7-11-20(12-8-16)35-23(26)27)22(32)30(24(33)29-25)15-21(31)28-17-9-13-19(14-10-17)34-18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H,28,31)(H,29,33).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 481.46 g/mol, XLogP of 4.49, 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-phenoxyphenyl)acetamide is sourced from PubChem (CID 3965161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).