2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide

C17H15F3N2O2 — CID 113175032

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c1-12(23)22(11-16(24)21-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17(18,19)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyMKNSBRNXLXHJQH-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.70
Rot. Bonds4

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide (PubChem CID 113175032) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
PubChem CID113175032
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c1-12(23)22(11-16(24)21-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17(18,19)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyMKNSBRNXLXHJQH-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide (CID 113175032) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide is CC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide?
The InChIKey is MKNSBRNXLXHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-12(23)22(11-16(24)21-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17(18,19)20/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide has a molecular weight of 336.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide is sourced from PubChem (CID 113175032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).