2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide

C20H16F3N3O2 — CID 113175089

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c1-13(27)26(17-10-3-2-8-15(17)20(21,22)23)12-18(28)25-16-9-4-6-14-7-5-11-24-19(14)16/h2-11H,12H2,1H3,(H,25,28)
InChIKeyAHSIWYSODPDGAB-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.25
Rot. Bonds4

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide (PubChem CID 113175089) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
PubChem CID113175089
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c1-13(27)26(17-10-3-2-8-15(17)20(21,22)23)12-18(28)25-16-9-4-6-14-7-5-11-24-19(14)16/h2-11H,12H2,1H3,(H,25,28)
InChIKeyAHSIWYSODPDGAB-UHFFFAOYSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
CID 55488501
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide (CID 113175089) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide is CC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide?
The InChIKey is AHSIWYSODPDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13(27)26(17-10-3-2-8-15(17)20(21,22)23)12-18(28)25-16-9-4-6-14-7-5-11-24-19(14)16/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide has a molecular weight of 387.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113175089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).