N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide

C18H17F3N2O2 — CID 108953788

IUPACN'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(C)c1NC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-11-6-5-7-12(2)17(11)23-16(25)10-15(24)22-14-9-4-3-8-13(14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWYDPNWJPUNPEBP-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.29
Rot. Bonds4

About N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide

N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108953788) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108953788
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(C)c1NC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-11-6-5-7-12(2)17(11)23-16(25)10-15(24)22-14-9-4-3-8-13(14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWYDPNWJPUNPEBP-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(2,6-dimethylphenyl)-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide
CID 74226449

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide (CID 108953788) is N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide is Cc1cccc(C)c1NC(=O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is WYDPNWJPUNPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11-6-5-7-12(2)17(11)23-16(25)10-15(24)22-14-9-4-3-8-13(14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide?
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 350.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108953788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).