2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

C19H19BrFNO4 — CID 55431067

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H19BrFNO4/c1-22(6-7-24-15-4-2-14(21)3-5-15)19(23)11-13-10-17-18(12-16(13)20)26-9-8-25-17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyHPWFNCHZFSVGJU-UHFFFAOYSA-N
MW424.27 g/mol
LogP3.44
Rot. Bonds6

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 55431067) has the molecular formula C19H19BrFNO4 and a molecular weight of 424.27 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID55431067
Molecular FormulaC19H19BrFNO4
Molecular Weight424.27 g/mol
Exact Mass423.05
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H19BrFNO4/c1-22(6-7-24-15-4-2-14(21)3-5-15)19(23)11-13-10-17-18(12-16(13)20)26-9-8-25-17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyHPWFNCHZFSVGJU-UHFFFAOYSA-N
XLogP3.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 39968072
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 55590655
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (CID 55431067) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)Cc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is HPWFNCHZFSVGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO4/c1-22(6-7-24-15-4-2-14(21)3-5-15)19(23)11-13-10-17-18(12-16(13)20)26-9-8-25-17/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 424.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 55431067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).