N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide

C21H21F2N3O3 — CID 55375107

IUPACN-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C21H21F2N3O3/c1-3-4-13-5-7-14(8-6-13)21(2)19(28)26(20(29)25-21)12-18(27)24-15-9-10-16(22)17(23)11-15/h5-11H,3-4,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyRFFYXTQDRJEVSI-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.32
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 55375107) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
PubChem CID55375107
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C21H21F2N3O3/c1-3-4-13-5-7-14(8-6-13)21(2)19(28)26(20(29)25-21)12-18(27)24-15-9-10-16(22)17(23)11-15/h5-11H,3-4,12H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyRFFYXTQDRJEVSI-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24565834
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 47094539
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
4-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46646653
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-pentylphenyl)acetamide
CID 43007214
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55435689
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630086

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide (CID 55375107) is N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide is CCCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is RFFYXTQDRJEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-3-4-13-5-7-14(8-6-13)21(2)19(28)26(20(29)25-21)12-18(27)24-15-9-10-16(22)17(23)11-15/h5-11H,3-4,12H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 55375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).