N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

C17H17F3N2O4 — CID 67292901

IUPACN-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C17H17F3N2O4/c1-11(15-7-6-14(24-2)9-21-15)22-16(23)10-25-12-4-3-5-13(8-12)26-17(18,19)20/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyYKKDKASTPOVHJC-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.24
Rot. Bonds7

About N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 67292901) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
PubChem CID67292901
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC NameN-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C17H17F3N2O4/c1-11(15-7-6-14(24-2)9-21-15)22-16(23)10-25-12-4-3-5-13(8-12)26-17(18,19)20/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyYKKDKASTPOVHJC-UHFFFAOYSA-N
XLogP3.24
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (CID 67292901) is N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is COc1ccc(C(C)NC(=O)COc2cccc(OC(F)(F)F)c2)nc1.
What is the InChIKey of N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is YKKDKASTPOVHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-11(15-7-6-14(24-2)9-21-15)22-16(23)10-25-12-4-3-5-13(8-12)26-17(18,19)20/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?
N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 370.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-2-pyridinyl)ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 67292901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).