2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide

C23H21F3N2O3 — CID 55693527

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)20-10-5-11-28(22(20)30)14-21(29)27-13-18-8-4-9-19(12-18)16-31-15-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,27,29)
InChIKeyXYEYXOKADUACET-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.90
Rot. Bonds8

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55693527) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID55693527
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)20-10-5-11-28(22(20)30)14-21(29)27-13-18-8-4-9-19(12-18)16-31-15-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,27,29)
InChIKeyXYEYXOKADUACET-UHFFFAOYSA-N
XLogP3.90
TPSA60.33 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 55693527) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is XYEYXOKADUACET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)20-10-5-11-28(22(20)30)14-21(29)27-13-18-8-4-9-19(12-18)16-31-15-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,27,29).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55693527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).