2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide

C16H14ClF3N2O — CID 1485243

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccc1
InChIInChI=1S/C16H14ClF3N2O/c17-13-8-12(16(18,19)20)10-22-14(13)9-15(23)21-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,21,23)
InChIKeyDHBMBWRDJAGIOH-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.66
Rot. Bonds5

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide (PubChem CID 1485243) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide
PubChem CID1485243
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccc1
InChIInChI=1S/C16H14ClF3N2O/c17-13-8-12(16(18,19)20)10-22-14(13)9-15(23)21-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,21,23)
InChIKeyDHBMBWRDJAGIOH-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide (CID 1485243) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide?
The InChIKey is DHBMBWRDJAGIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-13-8-12(16(18,19)20)10-22-14(13)9-15(23)21-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,21,23).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide has a molecular weight of 342.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1485243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).