N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H13F3N2O — CID 17396525

IUPACN-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H13F3N2O/c1-10-4-2-7-13(19-10)20-14(21)9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyZRHLMOXOAQBXTD-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.59
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 17396525) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID17396525
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H13F3N2O/c1-10-4-2-7-13(19-10)20-14(21)9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyZRHLMOXOAQBXTD-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122296854
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122302066
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 17396525) is N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZRHLMOXOAQBXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10-4-2-7-13(19-10)20-14(21)9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 294.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17396525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).