N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C23H21F3N2O3 — CID 67289268

IUPACN-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C23H21F3N2O3/c1-16(21-12-11-20(13-27-21)30-14-17-5-3-2-4-6-17)28-22(29)15-31-19-9-7-18(8-10-19)23(24,25)26/h2-13,16H,14-15H2,1H3,(H,28,29)
InChIKeyJBEXJMMILHJZNP-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.94
Rot. Bonds8

About N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 67289268) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID67289268
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C23H21F3N2O3/c1-16(21-12-11-20(13-27-21)30-14-17-5-3-2-4-6-17)28-22(29)15-31-19-9-7-18(8-10-19)23(24,25)26/h2-13,16H,14-15H2,1H3,(H,28,29)
InChIKeyJBEXJMMILHJZNP-UHFFFAOYSA-N
XLogP4.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 67289268) is N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is JBEXJMMILHJZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-16(21-12-11-20(13-27-21)30-14-17-5-3-2-4-6-17)28-22(29)15-31-19-9-7-18(8-10-19)23(24,25)26/h2-13,16H,14-15H2,1H3,(H,28,29).
What are the key properties of N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 67289268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).