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

C12H15ClF3N3O — CID 2768205

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-19(2)4-3-17-11(20)6-10-9(13)5-8(7-18-10)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,20)
InChIKeyOJECAQCCEGLMOS-UHFFFAOYSA-N
MW309.72 g/mol
LogP1.97
Rot. Bonds5

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 2768205) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID2768205
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-19(2)4-3-17-11(20)6-10-9(13)5-8(7-18-10)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,20)
InChIKeyOJECAQCCEGLMOS-UHFFFAOYSA-N
XLogP1.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fluopyram
CID 11158353
Fluopicolide
CID 11159021
N-(3-chloro-4-methylphenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide
CID 1472407
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N-(4-Chlorophenyl)-2-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)propanamide
CID 2766744
2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
CID 24765307
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3,5-isoxazolediol
CID 1473736
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-fluorophenyl)methyl]propanediamide
CID 1481317
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enal
CID 1483149
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 3294185
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluorophenyl)acetamide
CID 3299281
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
CID 3302336

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 2768205) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is OJECAQCCEGLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19(2)4-3-17-11(20)6-10-9(13)5-8(7-18-10)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 309.72 g/mol, XLogP of 1.97, 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-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 2768205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).