3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide

C19H19F3N2O2 — CID 113118886

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C)cc1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)11-24(13(2)25)10-9-17(26)23-16-8-7-15(20)18(21)19(16)22/h3-8H,9-11H2,1-2H3,(H,23,26)
InChIKeyPEEIABRWRUOXMV-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.79
Rot. Bonds6

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 113118886) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID113118886
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C)cc1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)11-24(13(2)25)10-9-17(26)23-16-8-7-15(20)18(21)19(16)22/h3-8H,9-11H2,1-2H3,(H,23,26)
InChIKeyPEEIABRWRUOXMV-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
ethyl 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118881
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
ethyl 4-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118870
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
2-[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111288954
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide (CID 113118886) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PEEIABRWRUOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)11-24(13(2)25)10-9-17(26)23-16-8-7-15(20)18(21)19(16)22/h3-8H,9-11H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 364.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 113118886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).