N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

C18H18Br2N2O3 — CID 24565661

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2c(cc1Br)OCCO2)Cc1ccccc1Br
InChIInChI=1S/C18H18Br2N2O3/c1-22(10-12-4-2-3-5-13(12)19)11-18(23)21-15-9-17-16(8-14(15)20)24-6-7-25-17/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyJRIGARJVQVCWRP-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.05
Rot. Bonds5

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (PubChem CID 24565661) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
PubChem CID24565661
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2c(cc1Br)OCCO2)Cc1ccccc1Br
InChIInChI=1S/C18H18Br2N2O3/c1-22(10-12-4-2-3-5-13(12)19)11-18(23)21-15-9-17-16(8-14(15)20)24-6-7-25-17/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyJRIGARJVQVCWRP-UHFFFAOYSA-N
XLogP4.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide with MolForge

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24566255
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
methyl 3-[[2-[(2-bromophenyl)methyl-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24565660
2-[(2-bromophenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27204672
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(2-bromo-4-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 31380089
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568129
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (CID 24565661) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)Cc1ccccc1Br.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The InChIKey is JRIGARJVQVCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c1-22(10-12-4-2-3-5-13(12)19)11-18(23)21-15-9-17-16(8-14(15)20)24-6-7-25-17/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide has a molecular weight of 470.16 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24565661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).