2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C20H21F3N2O2 — CID 113170050

IUPAC2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H21F3N2O2/c1-12-9-13(2)19(14(3)10-12)25(15(4)26)11-18(27)24-17-7-5-16(6-8-17)20(21,22)23/h5-10H,11H2,1-4H3,(H,24,27)
InChIKeyBAFJOCUOJUZRLH-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.62
Rot. Bonds4

About 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113170050) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113170050
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H21F3N2O2/c1-12-9-13(2)19(14(3)10-12)25(15(4)26)11-18(27)24-17-7-5-16(6-8-17)20(21,22)23/h5-10H,11H2,1-4H3,(H,24,27)
InChIKeyBAFJOCUOJUZRLH-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-(4-methylphenyl)acetamide
CID 113170003
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175336
2-(N-acetyl-2,4,6-trimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113170075
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
methyl 3-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176312
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161689

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113170050) is 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BAFJOCUOJUZRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-12-9-13(2)19(14(3)10-12)25(15(4)26)11-18(27)24-17-7-5-16(6-8-17)20(21,22)23/h5-10H,11H2,1-4H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113170050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).