2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

C15H10F3N3O2 — CID 168521702

IUPAC2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-2-1-3-14(21-12)23-11-6-4-10(5-7-11)20-13(22)8-9-19/h1-7H,8H2,(H,20,22)
InChIKeyXVPJPXXESCLYRJ-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.74
Rot. Bonds4

About 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (PubChem CID 168521702) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
PubChem CID168521702
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-2-1-3-14(21-12)23-11-6-4-10(5-7-11)20-13(22)8-9-19/h1-7H,8H2,(H,20,22)
InChIKeyXVPJPXXESCLYRJ-UHFFFAOYSA-N
XLogP3.74
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
2-cyano-N-(4-naphthalen-2-yloxyphenyl)acetamide
CID 168522770
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
2-cyano-N-[4-[4-[(2-isocyanoacetyl)amino]phenoxy]phenyl]acetamide
CID 123897788
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
CID 146306916
2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 168524264
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
2-cyano-N-(4-naphthalen-2-ylphenyl)acetamide
CID 168520254
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (CID 168521702) is 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is N#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is XVPJPXXESCLYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)12-2-1-3-14(21-12)23-11-6-4-10(5-7-11)20-13(22)8-9-19/h1-7H,8H2,(H,20,22).
What are the key properties of 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 321.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 168521702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).