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

C15H13ClF3N3O — CID 3294185

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C15H13ClF3N3O/c16-12-7-10(15(17,18)19)9-22-13(12)8-14(23)21-6-4-11-3-1-2-5-20-11/h1-3,5,7,9H,4,6,8H2,(H,21,23)
InChIKeyMRDMOHGVCKENIQ-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.05
Rot. Bonds5

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 3294185) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID3294185
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C15H13ClF3N3O/c16-12-7-10(15(17,18)19)9-22-13(12)8-14(23)21-6-4-11-3-1-2-5-20-11/h1-3,5,7,9H,4,6,8H2,(H,21,23)
InChIKeyMRDMOHGVCKENIQ-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide (CID 3294185) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCc1ccccn1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is MRDMOHGVCKENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-12-7-10(15(17,18)19)9-22-13(12)8-14(23)21-6-4-11-3-1-2-5-20-11/h1-3,5,7,9H,4,6,8H2,(H,21,23).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 343.74 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 3294185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).