3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide

C17H23F3N2O2 — CID 113130349

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-4-7-11-21-16(24)10-12-22(13(2)23)15-9-6-5-8-14(15)17(18,19)20/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,21,24)
InChIKeyHVKLKCVEBNGGAQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.75
Rot. Bonds8

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

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide (PubChem CID 113130349) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
PubChem CID113130349
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-4-7-11-21-16(24)10-12-22(13(2)23)15-9-6-5-8-14(15)17(18,19)20/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,21,24)
InChIKeyHVKLKCVEBNGGAQ-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
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
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide (CID 113130349) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide is CCCCCNC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide?
The InChIKey is HVKLKCVEBNGGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-4-7-11-21-16(24)10-12-22(13(2)23)15-9-6-5-8-14(15)17(18,19)20/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide has a molecular weight of 344.38 g/mol, XLogP of 3.75, 8 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-pentylpropanamide is sourced from PubChem (CID 113130349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).