N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C22H17F3N2O4 — CID 24529412

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)15-7-10-20(26-11-15)31-16-8-5-14(6-9-16)21(28)27-12-17-13-29-18-3-1-2-4-19(18)30-17/h1-11,17H,12-13H2,(H,27,28)
InChIKeyRUPUBLXMTWVVQV-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.46
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 24529412) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID24529412
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)15-7-10-20(26-11-15)31-16-8-5-14(6-9-16)21(28)27-12-17-13-29-18-3-1-2-4-19(18)30-17/h1-11,17H,12-13H2,(H,27,28)
InChIKeyRUPUBLXMTWVVQV-UHFFFAOYSA-N
XLogP4.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-[2-(furan-2-yl)ethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24544168
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 42994565
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293120
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-diethoxybenzamide
CID 8872749

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 24529412) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(NCC1COc2ccccc2O1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is RUPUBLXMTWVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c23-22(24,25)15-7-10-20(26-11-15)31-16-8-5-14(6-9-16)21(28)27-12-17-13-29-18-3-1-2-4-19(18)30-17/h1-11,17H,12-13H2,(H,27,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 430.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 24529412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).