N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H18FN3O6 — CID 46512802

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1C(=O)NC(C)(c3ccc(F)cc3)C1=O)OCO2
InChIInChI=1S/C21H18FN3O6/c1-11(26)14-7-16-17(31-10-30-16)8-15(14)23-18(27)9-25-19(28)21(2,24-20(25)29)12-3-5-13(22)6-4-12/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyRWKGJRKNRWNARO-UHFFFAOYSA-N
MW427.39 g/mol
LogP2.16
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46512802) has the molecular formula C21H18FN3O6 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46512802
Molecular FormulaC21H18FN3O6
Molecular Weight427.39 g/mol
Exact Mass427.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1C(=O)NC(C)(c3ccc(F)cc3)C1=O)OCO2
InChIInChI=1S/C21H18FN3O6/c1-11(26)14-7-16-17(31-10-30-16)8-15(14)23-18(27)9-25-19(28)21(2,24-20(25)29)12-3-5-13(22)6-4-12/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyRWKGJRKNRWNARO-UHFFFAOYSA-N
XLogP2.16
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 52.16
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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509646
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7240816
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2127023
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40957183
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 46512801
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 24571921
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001186
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001187

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46512802) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)NC(C)(c3ccc(F)cc3)C1=O)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RWKGJRKNRWNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O6/c1-11(26)14-7-16-17(31-10-30-16)8-15(14)23-18(27)9-25-19(28)21(2,24-20(25)29)12-3-5-13(22)6-4-12/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 427.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46512802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).