N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

C18H15Br2NO3 — CID 41402265

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCc1cc(Br)c(NC(=O)COc2cccc3c2CCC3=O)c(Br)c1
InChIInChI=1S/C18H15Br2NO3/c1-10-7-13(19)18(14(20)8-10)21-17(23)9-24-16-4-2-3-11-12(16)5-6-15(11)22/h2-4,7-8H,5-6,9H2,1H3,(H,21,23)
InChIKeyXEYNTBPONQLVES-UHFFFAOYSA-N
MW453.13 g/mol
LogP4.67
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (PubChem CID 41402265) has the molecular formula C18H15Br2NO3 and a molecular weight of 453.13 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
PubChem CID41402265
Molecular FormulaC18H15Br2NO3
Molecular Weight453.13 g/mol
Exact Mass450.94
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCc1cc(Br)c(NC(=O)COc2cccc3c2CCC3=O)c(Br)c1
InChIInChI=1S/C18H15Br2NO3/c1-10-7-13(19)18(14(20)8-10)21-17(23)9-24-16-4-2-3-11-12(16)5-6-15(11)22/h2-4,7-8H,5-6,9H2,1H3,(H,21,23)
InChIKeyXEYNTBPONQLVES-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.13
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 24578842
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]-N-(4-phenoxyphenyl)acetamide
CID 41402254
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151972
N-[1-(4-fluorophenyl)ethyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 134010739
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
CID 2151896
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 42970130
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (CID 41402265) is N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is Cc1cc(Br)c(NC(=O)COc2cccc3c2CCC3=O)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is XEYNTBPONQLVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO3/c1-10-7-13(19)18(14(20)8-10)21-17(23)9-24-16-4-2-3-11-12(16)5-6-15(11)22/h2-4,7-8H,5-6,9H2,1H3,(H,21,23).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 453.13 g/mol, XLogP of 4.67, 4 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-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 41402265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).