3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide

C16H21F3N2O2 — CID 113130303

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-4-11(2)20-15(23)9-10-21(12(3)22)14-8-6-5-7-13(14)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyVMGFJIOMVZYASR-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.36
Rot. Bonds6

About 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide (PubChem CID 113130303) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
PubChem CID113130303
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-4-11(2)20-15(23)9-10-21(12(3)22)14-8-6-5-7-13(14)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyVMGFJIOMVZYASR-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
CID 113133839
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide (CID 113130303) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide?
The InChIKey is VMGFJIOMVZYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-4-11(2)20-15(23)9-10-21(12(3)22)14-8-6-5-7-13(14)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,23).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide has a molecular weight of 330.35 g/mol, XLogP of 3.36, 6 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-butan-2-ylpropanamide is sourced from PubChem (CID 113130303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).