N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide

C15H13F3N2O2 — CID 135394741

IUPACN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N2O2/c1-10(21)20-14-7-6-13(8-19-14)22-9-11-2-4-12(5-3-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyLEMUMLAJHSYLMF-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.64
Rot. Bonds4

About N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide

N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide (PubChem CID 135394741) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
PubChem CID135394741
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N2O2/c1-10(21)20-14-7-6-13(8-19-14)22-9-11-2-4-12(5-3-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyLEMUMLAJHSYLMF-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide (CID 135394741) is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide?
The InChIKey is LEMUMLAJHSYLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-10(21)20-14-7-6-13(8-19-14)22-9-11-2-4-12(5-3-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide?
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide has a molecular weight of 310.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 135394741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).