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

C14H11ClF3N3O — CID 1481319

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccnc1
InChIInChI=1S/C14H11ClF3N3O/c15-11-4-10(14(16,17)18)8-20-12(11)5-13(22)21-7-9-2-1-3-19-6-9/h1-4,6,8H,5,7H2,(H,21,22)
InChIKeyJPVHDHYRGOADFJ-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.01
Rot. Bonds4

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1481319) has the molecular formula C14H11ClF3N3O and a molecular weight of 329.71 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1481319
Molecular FormulaC14H11ClF3N3O
Molecular Weight329.71 g/mol
Exact Mass329.05
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccnc1
InChIInChI=1S/C14H11ClF3N3O/c15-11-4-10(14(16,17)18)8-20-12(11)5-13(22)21-7-9-2-1-3-19-6-9/h1-4,6,8H,5,7H2,(H,21,22)
InChIKeyJPVHDHYRGOADFJ-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 53.01
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-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide (CID 1481319) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccnc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JPVHDHYRGOADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O/c15-11-4-10(14(16,17)18)8-20-12(11)5-13(22)21-7-9-2-1-3-19-6-9/h1-4,6,8H,5,7H2,(H,21,22).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 329.71 g/mol, XLogP of 3.01, 4 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1481319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).