2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide

C18H17F3N2O2 — CID 113175034

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-12-6-5-7-14(10-12)22-17(25)11-23(13(2)24)16-9-4-3-8-15(16)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyXICKSMRASVKXLN-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.01
Rot. Bonds4

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide (PubChem CID 113175034) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
PubChem CID113175034
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-12-6-5-7-14(10-12)22-17(25)11-23(13(2)24)16-9-4-3-8-15(16)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyXICKSMRASVKXLN-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
2-(N-acetyl-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide (CID 113175034) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide?
The InChIKey is XICKSMRASVKXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12-6-5-7-14(10-12)22-17(25)11-23(13(2)24)16-9-4-3-8-15(16)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide has a molecular weight of 350.34 g/mol, XLogP of 4.01, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 113175034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).