2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H16F3N3O2 — CID 113163489

IUPAC2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccn1
InChIInChI=1S/C17H16F3N3O2/c1-12(24)23(10-13-6-4-5-9-21-13)11-16(25)22-15-8-3-2-7-14(15)17(18,19)20/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyIDOOTSFDKDFQDY-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.09
Rot. Bonds5

About 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113163489) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID113163489
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccn1
InChIInChI=1S/C17H16F3N3O2/c1-12(24)23(10-13-6-4-5-9-21-13)11-16(25)22-15-8-3-2-7-14(15)17(18,19)20/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyIDOOTSFDKDFQDY-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113163380
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
CID 55488501
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 113163489) is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccn1.
What is the InChIKey of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IDOOTSFDKDFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-12(24)23(10-13-6-4-5-9-21-13)11-16(25)22-15-8-3-2-7-14(15)17(18,19)20/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 351.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113163489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).