2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide

C14H10ClF3N2O — CID 3795919

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-10-6-9(14(16,17)18)7-20-12(10)11(13(19)21)8-4-2-1-3-5-8/h1-7,11H,(H2,19,21)
InChIKeyJVFWLCIVAGKGRU-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.37
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 3795919) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide
PubChem CID3795919
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-10-6-9(14(16,17)18)7-20-12(10)11(13(19)21)8-4-2-1-3-5-8/h1-7,11H,(H2,19,21)
InChIKeyJVFWLCIVAGKGRU-UHFFFAOYSA-N
XLogP3.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide (CID 3795919) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide is NC(=O)C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is JVFWLCIVAGKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-10-6-9(14(16,17)18)7-20-12(10)11(13(19)21)8-4-2-1-3-5-8/h1-7,11H,(H2,19,21).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 314.69 g/mol, XLogP of 3.37, 3 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]-2-phenylacetamide is sourced from PubChem (CID 3795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).