2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C20H18BrN3O5 — CID 3956480

IUPAC2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C20H18BrN3O5/c1-20(12-3-2-4-13(21)9-12)18(26)24(19(27)23-20)11-17(25)22-14-5-6-15-16(10-14)29-8-7-28-15/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyXLGTVAGVDOJBDP-UHFFFAOYSA-N
MW460.28 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3956480) has the molecular formula C20H18BrN3O5 and a molecular weight of 460.28 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID3956480
Molecular FormulaC20H18BrN3O5
Molecular Weight460.28 g/mol
Exact Mass459.04
IUPAC Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C20H18BrN3O5/c1-20(12-3-2-4-13(21)9-12)18(26)24(19(27)23-20)11-17(25)22-14-5-6-15-16(10-14)29-8-7-28-15/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyXLGTVAGVDOJBDP-UHFFFAOYSA-N
XLogP2.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 52.63
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

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 4786420
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-ynamide
CID 3216695
1-(3-Ethyl-ureido)-cyclohexanecarboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 1444530
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
CID 2999122
1-N-(3-acetylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1,2-dicarboxamide
CID 3230319
2-[(2-acetamidoacetyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)acetamide
CID 3239640
N~2~-acetyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylglycinamide
CID 3240151
N~2~-acetyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methylphenyl)-2-oxoethyl]glycinamide
CID 3241528
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)-1-imidazolidinyl]acetamide
CID 3942125
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
CID 3967961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3956480) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is XLGTVAGVDOJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O5/c1-20(12-3-2-4-13(21)9-12)18(26)24(19(27)23-20)11-17(25)22-14-5-6-15-16(10-14)29-8-7-28-15/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 460.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).