N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C20H22BrNO4 — CID 26902755

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cc3c(cc2Br)OCCO3)ccc1C(C)C
InChIInChI=1S/C20H22BrNO4/c1-12(2)15-5-4-14(8-13(15)3)26-11-20(23)22-17-10-19-18(9-16(17)21)24-6-7-25-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyXFWVLEGREUEAFE-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.67
Rot. Bonds5

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 26902755) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID26902755
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cc3c(cc2Br)OCCO3)ccc1C(C)C
InChIInChI=1S/C20H22BrNO4/c1-12(2)15-5-4-14(8-13(15)3)26-11-20(23)22-17-10-19-18(9-16(17)21)24-6-7-25-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyXFWVLEGREUEAFE-UHFFFAOYSA-N
XLogP4.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide with MolForge

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Related Compounds

N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 18193059
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 41428084
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 26902755) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2cc3c(cc2Br)OCCO3)ccc1C(C)C.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is XFWVLEGREUEAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-12(2)15-5-4-14(8-13(15)3)26-11-20(23)22-17-10-19-18(9-16(17)21)24-6-7-25-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,23).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 420.30 g/mol, XLogP of 4.67, 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-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 26902755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).