2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

C16H14ClF3N2O3 — CID 118497734

IUPAC2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H14ClF3N2O3/c17-13-3-1-2-4-14(13)24-9-15(23)22-7-11-5-6-12(8-21-11)25-10-16(18,19)20/h1-6,8H,7,9-10H2,(H,22,23)
InChIKeyXMPKJOBATCQCBL-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.37
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (PubChem CID 118497734) has the molecular formula C16H14ClF3N2O3 and a molecular weight of 374.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
PubChem CID118497734
Molecular FormulaC16H14ClF3N2O3
Molecular Weight374.75 g/mol
Exact Mass374.06
IUPAC Name2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H14ClF3N2O3/c17-13-3-1-2-4-14(13)24-9-15(23)22-7-11-5-6-12(8-21-11)25-10-16(18,19)20/h1-6,8H,7,9-10H2,(H,22,23)
InChIKeyXMPKJOBATCQCBL-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (CID 118497734) is 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is O=C(COc1ccccc1Cl)NCc1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The InChIKey is XMPKJOBATCQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3/c17-13-3-1-2-4-14(13)24-9-15(23)22-7-11-5-6-12(8-21-11)25-10-16(18,19)20/h1-6,8H,7,9-10H2,(H,22,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide has a molecular weight of 374.75 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 118497734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).