N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide

C16H11F5N2O2 — CID 108956121

IUPACN'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F5N2O2/c17-11-2-1-3-12(18)15(11)23-14(25)8-13(24)22-10-6-4-9(5-7-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyFGPYKIKPOFEFTB-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.95
Rot. Bonds4

About N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide

N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956121) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956121
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC NameN'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F5N2O2/c17-11-2-1-3-12(18)15(11)23-14(25)8-13(24)22-10-6-4-9(5-7-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyFGPYKIKPOFEFTB-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.95
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

N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954413
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
2-[(2-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108997575
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide (CID 108956121) is N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1c(F)cccc1F)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is FGPYKIKPOFEFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c17-11-2-1-3-12(18)15(11)23-14(25)8-13(24)22-10-6-4-9(5-7-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25).
What are the key properties of N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 358.27 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).