2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide

C13H8ClF4N3O — CID 130473225

IUPAC2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H8ClF4N3O/c14-4-11(22)20-10-2-1-9(21-12(10)13(16,17)18)7-3-8(15)6-19-5-7/h1-3,5-6H,4H2,(H,20,22)
InChIKeyDPGSLFWWPJKMFY-UHFFFAOYSA-N
MW333.67 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide

2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130473225) has the molecular formula C13H8ClF4N3O and a molecular weight of 333.67 g/mol. Its IUPAC name is 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130473225
Molecular FormulaC13H8ClF4N3O
Molecular Weight333.67 g/mol
Exact Mass333.03
IUPAC Name2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H8ClF4N3O/c14-4-11(22)20-10-2-1-9(21-12(10)13(16,17)18)7-3-8(15)6-19-5-7/h1-3,5-6H,4H2,(H,20,22)
InChIKeyDPGSLFWWPJKMFY-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473393
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471307
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
CID 130473224
N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
CID 159910336
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130473225) is 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(CCl)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is DPGSLFWWPJKMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N3O/c14-4-11(22)20-10-2-1-9(21-12(10)13(16,17)18)7-3-8(15)6-19-5-7/h1-3,5-6H,4H2,(H,20,22).
What are the key properties of 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide?
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 333.67 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).