2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C19H20F2N2O4 — CID 2516111

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O4/c1-23(11-13-2-5-15(6-3-13)27-19(20)21)12-18(24)22-14-4-7-16-17(10-14)26-9-8-25-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyJIMGEHGUFAMKLG-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.13
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2516111) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2516111
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O4/c1-23(11-13-2-5-15(6-3-13)27-19(20)21)12-18(24)22-14-4-7-16-17(10-14)26-9-8-25-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyJIMGEHGUFAMKLG-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 27218401
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]benzoate
CID 31380061
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 34124823

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2516111) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JIMGEHGUFAMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-23(11-13-2-5-15(6-3-13)27-19(20)21)12-18(24)22-14-4-7-16-17(10-14)26-9-8-25-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 378.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2516111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).