2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C16H15ClF3N3O2 — CID 46423192

IUPAC2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H15ClF3N3O2/c17-12-3-1-2-4-13(12)25-10-15(24)22-8-7-21-14-6-5-11(9-23-14)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyPUMGLVCEUDYSLH-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.36
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 46423192) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID46423192
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H15ClF3N3O2/c17-12-3-1-2-4-13(12)25-10-15(24)22-8-7-21-14-6-5-11(9-23-14)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyPUMGLVCEUDYSLH-UHFFFAOYSA-N
XLogP3.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55617905
2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
CID 166178541
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55617876
2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423302
2-(4-chloro-2-methylphenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]propanamide
CID 55617715
2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 118497734
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 27888885

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 46423192) is 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(COc1ccccc1Cl)NCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is PUMGLVCEUDYSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c17-12-3-1-2-4-13(12)25-10-15(24)22-8-7-21-14-6-5-11(9-23-14)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 373.76 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 46423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).