3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide

C19H19F3N2O2 — CID 113118316

IUPAC3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(13-15-7-3-2-4-8-15)12-11-18(26)23-17-10-6-5-9-16(17)19(20,21)22/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyRUILLJKPNBIAHA-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.08
Rot. Bonds6

About 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 113118316) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID113118316
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(13-15-7-3-2-4-8-15)12-11-18(26)23-17-10-6-5-9-16(17)19(20,21)22/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyRUILLJKPNBIAHA-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
CID 56783118
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 113118316) is 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RUILLJKPNBIAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-14(25)24(13-15-7-3-2-4-8-15)12-11-18(26)23-17-10-6-5-9-16(17)19(20,21)22/h2-10H,11-13H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113118316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).