2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O2 — CID 113170355

IUPAC2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1c(C)cccc1C(C)C
InChIInChI=1S/C21H23F3N2O2/c1-13(2)18-10-5-7-14(3)20(18)26(15(4)27)12-19(28)25-17-9-6-8-16(11-17)21(22,23)24/h5-11,13H,12H2,1-4H3,(H,25,28)
InChIKeyNNDQYEFXGZJGOG-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.13
Rot. Bonds5

About 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113170355) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113170355
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1c(C)cccc1C(C)C
InChIInChI=1S/C21H23F3N2O2/c1-13(2)18-10-5-7-14(3)20(18)26(15(4)27)12-19(28)25-17-9-6-8-16(11-17)21(22,23)24/h5-11,13H,12H2,1-4H3,(H,25,28)
InChIKeyNNDQYEFXGZJGOG-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168721
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113170355) is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1c(C)cccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NNDQYEFXGZJGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13(2)18-10-5-7-14(3)20(18)26(15(4)27)12-19(28)25-17-9-6-8-16(11-17)21(22,23)24/h5-11,13H,12H2,1-4H3,(H,25,28).
What are the key properties of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113170355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).