N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

C17H13F3N2O3 — CID 108956222

IUPACN-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H13F3N2O3/c1-9(23)10-2-4-11(5-3-10)21-14(24)8-15(25)22-13-7-6-12(18)16(19)17(13)20/h2-7H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyRUGWGBAOLUGQFK-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.27
Rot. Bonds5

About N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108956222) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108956222
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H13F3N2O3/c1-9(23)10-2-4-11(5-3-10)21-14(24)8-15(25)22-13-7-6-12(18)16(19)17(13)20/h2-7H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyRUGWGBAOLUGQFK-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197745
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylazanium
CID 2698581
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197775
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949869
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108956222) is N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is CC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is RUGWGBAOLUGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-9(23)10-2-4-11(5-3-10)21-14(24)8-15(25)22-13-7-6-12(18)16(19)17(13)20/h2-7H,8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 350.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108956222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).