N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C17H12Br2N2O3 — CID 16520905

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Br)c1
InChIInChI=1S/C17H12Br2N2O3/c1-9-6-12(18)15(13(19)7-9)20-14(22)8-21-16(23)10-4-2-3-5-11(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyXSXNQRYRANYFMM-UHFFFAOYSA-N
MW452.10 g/mol
LogP3.75
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 16520905) has the molecular formula C17H12Br2N2O3 and a molecular weight of 452.10 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID16520905
Molecular FormulaC17H12Br2N2O3
Molecular Weight452.10 g/mol
Exact Mass449.92
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Br)c1
InChIInChI=1S/C17H12Br2N2O3/c1-9-6-12(18)15(13(19)7-9)20-14(22)8-21-16(23)10-4-2-3-5-11(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyXSXNQRYRANYFMM-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 17129339
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188936

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 16520905) is N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(Br)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is XSXNQRYRANYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O3/c1-9-6-12(18)15(13(19)7-9)20-14(22)8-21-16(23)10-4-2-3-5-11(10)17(21)24/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 452.10 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16520905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).