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

C16H16F3N3O — CID 71627827

IUPACN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C
InChIInChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23)
InChIKeyKYWOCSKAPHSCKP-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.79
Rot. Bonds3

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

N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (PubChem CID 71627827) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
PubChem CID71627827
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C
InChIInChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23)
InChIKeyKYWOCSKAPHSCKP-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
2-[[3-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]anilino]methylidene]propanedinitrile
CID 168541977
3-[4-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]anilino]propane-1,2-diol
CID 168596058
(2E)-2-[[amino(methyl)amino]methylidene]-4,4-difluoro-3-methyl-N-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]phenyl]butanamide
CID 142986133
2-[[3-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]hydrazinylidene]propanedinitrile
CID 169338259
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
dimethyl 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]azepine-2,3-dicarboxylate
CID 168648447
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
CID 71628646

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide (CID 71627827) is N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(C(F)(F)F)cnc1N(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
The InChIKey is KYWOCSKAPHSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10(23)21-14-7-5-4-6-12(14)13-8-11(16(17,18)19)9-20-15(13)22(2)3/h4-9H,1-3H3,(H,21,23).
What are the key properties of N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide?
N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 71627827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).