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

C20H21F3N2O2 — CID 113130362

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-13-8-9-17(14(2)12-13)24-19(27)10-11-25(15(3)26)18-7-5-4-6-16(18)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeySIELJGGEBWRLNN-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.70
Rot. Bonds5

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

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113130362) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID113130362
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-13-8-9-17(14(2)12-13)24-19(27)10-11-25(15(3)26)18-7-5-4-6-16(18)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeySIELJGGEBWRLNN-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide (CID 113130362) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is SIELJGGEBWRLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13-8-9-17(14(2)12-13)24-19(27)10-11-25(15(3)26)18-7-5-4-6-16(18)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 378.39 g/mol, XLogP of 4.70, 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-dimethylphenyl)propanamide is sourced from PubChem (CID 113130362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).