N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C21H22F3NO4 — CID 9257935

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22F3NO4/c1-13(2)20(14-6-7-17-18(10-14)28-9-8-27-17)25-19(26)12-29-16-5-3-4-15(11-16)21(22,23)24/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyVSWUJXOWZRNLCT-HXUWFJFHSA-N
MW409.40 g/mol
LogP4.37
Rot. Bonds6

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 9257935) has the molecular formula C21H22F3NO4 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID9257935
Molecular FormulaC21H22F3NO4
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22F3NO4/c1-13(2)20(14-6-7-17-18(10-14)28-9-8-27-17)25-19(26)12-29-16-5-3-4-15(11-16)21(22,23)24/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyVSWUJXOWZRNLCT-HXUWFJFHSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9013167
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2,6-dimethylphenoxy)acetamide
CID 9258214
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2,6-dimethylphenoxy)acetamide
CID 18198354
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
methyl 4-[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethoxy]benzoate
CID 9019591
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 7669767
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198548
2-(2-chlorophenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9011762
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522770
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-phenoxybutanamide
CID 134052781
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-ethylphenoxy)acetamide
CID 43019131

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 9257935) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CC(C)[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VSWUJXOWZRNLCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22F3NO4/c1-13(2)20(14-6-7-17-18(10-14)28-9-8-27-17)25-19(26)12-29-16-5-3-4-15(11-16)21(22,23)24/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 409.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 9257935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).