N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide

C15H13F3N2O3 — CID 100689832

IUPACN-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H13F3N2O3/c1-19-13(21)9-22-11-3-2-4-12(7-11)23-14-6-5-10(8-20-14)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVXDMSTQOXDMODK-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide

N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide (PubChem CID 100689832) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
PubChem CID100689832
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H13F3N2O3/c1-19-13(21)9-22-11-3-2-4-12(7-11)23-14-6-5-10(8-20-14)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVXDMSTQOXDMODK-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 86623917
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
2-(3,4-dichlorophenyl)-3-oxo-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanenitrile
CID 54066762
tert-butyl 2-[3-[(5-hydroxy-2-pyridinyl)oxy]phenoxy]acetate
CID 170636951
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide (CID 100689832) is N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide is CNC(=O)COc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide?
The InChIKey is VXDMSTQOXDMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-19-13(21)9-22-11-3-2-4-12(7-11)23-14-6-5-10(8-20-14)15(16,17)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide?
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide has a molecular weight of 326.27 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide is sourced from PubChem (CID 100689832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).