3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide

C18H18F3N3O2 — CID 113130337

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-13(25)24(16-5-3-2-4-15(16)18(19,20)21)11-8-17(26)23-12-14-6-9-22-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,23,26)
InChIKeyIIFIJXAXJVJAOT-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.16
Rot. Bonds6

About 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113130337) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113130337
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-13(25)24(16-5-3-2-4-15(16)18(19,20)21)11-8-17(26)23-12-14-6-9-22-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,23,26)
InChIKeyIIFIJXAXJVJAOT-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
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-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide (CID 113130337) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccncc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IIFIJXAXJVJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-13(25)24(16-5-3-2-4-15(16)18(19,20)21)11-8-17(26)23-12-14-6-9-22-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,23,26).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 365.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113130337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).