3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide

C21H23F3N2O2 — CID 113130374

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O2/c1-13-11-14(2)20(15(3)12-13)25-19(28)9-10-26(16(4)27)18-8-6-5-7-17(18)21(22,23)24/h5-8,11-12H,9-10H2,1-4H3,(H,25,28)
InChIKeyJPDGWKXWWPASGK-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.01
Rot. Bonds5

About 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113130374) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113130374
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O2/c1-13-11-14(2)20(15(3)12-13)25-19(28)9-10-26(16(4)27)18-8-6-5-7-17(18)21(22,23)24/h5-8,11-12H,9-10H2,1-4H3,(H,25,28)
InChIKeyJPDGWKXWWPASGK-UHFFFAOYSA-N
XLogP5.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126443
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide (CID 113130374) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is JPDGWKXWWPASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13-11-14(2)20(15(3)12-13)25-19(28)9-10-26(16(4)27)18-8-6-5-7-17(18)21(22,23)24/h5-8,11-12H,9-10H2,1-4H3,(H,25,28).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 392.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113130374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).