2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide

C17H16F3N3O2 — CID 113175276

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-12(24)23(15-4-2-14(3-5-15)17(18,19)20)11-16(25)22-10-13-6-8-21-9-7-13/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyNZFWEJZLPAUCKK-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.77
Rot. Bonds5

About 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113175276) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113175276
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-12(24)23(15-4-2-14(3-5-15)17(18,19)20)11-16(25)22-10-13-6-8-21-9-7-13/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyNZFWEJZLPAUCKK-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide (CID 113175276) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NZFWEJZLPAUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-12(24)23(15-4-2-14(3-5-15)17(18,19)20)11-16(25)22-10-13-6-8-21-9-7-13/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 351.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113175276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).