N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C27H25F2N3O4 — CID 46662314

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C27H25F2N3O4/c1-17-8-10-20(11-9-17)27(2)24(34)32(26(35)31-27)16-23(33)30-21-12-13-22(36-25(28)29)19(15-21)14-18-6-4-3-5-7-18/h3-13,15,25H,14,16H2,1-2H3,(H,30,33)(H,31,35)
InChIKeyABNNNRUUXXNJDY-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.59
Rot. Bonds8

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46662314) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46662314
Molecular FormulaC27H25F2N3O4
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C27H25F2N3O4/c1-17-8-10-20(11-9-17)27(2)24(34)32(26(35)31-27)16-23(33)30-21-12-13-22(36-25(28)29)19(15-21)14-18-6-4-3-5-7-18/h3-13,15,25H,14,16H2,1-2H3,(H,30,33)(H,31,35)
InChIKeyABNNNRUUXXNJDY-UHFFFAOYSA-N
XLogP4.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55369477
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-phenoxyphenyl)acetamide
CID 3965161
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7264849
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55507658
N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119419114
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
N-(4-chlorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42982854
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2127023

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46662314) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)C2=O)cc1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ABNNNRUUXXNJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c1-17-8-10-20(11-9-17)27(2)24(34)32(26(35)31-27)16-23(33)30-21-12-13-22(36-25(28)29)19(15-21)14-18-6-4-3-5-7-18/h3-13,15,25H,14,16H2,1-2H3,(H,30,33)(H,31,35).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 493.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).