N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

C15H11F3N2O — CID 58608603

IUPACN'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cccc1F
InChIInChI=1S/C15H11F3N2O/c16-10-6-4-9(5-7-10)13(21)8-14(19)20-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H2,19,20)
InChIKeyMXABONAGOCENMH-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.37
Rot. Bonds4

About N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (PubChem CID 58608603) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
PubChem CID58608603
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cccc1F
InChIInChI=1S/C15H11F3N2O/c16-10-6-4-9(5-7-10)13(21)8-14(19)20-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H2,19,20)
InChIKeyMXABONAGOCENMH-UHFFFAOYSA-N
XLogP3.37
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The IUPAC name of N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (CID 58608603) is N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is N/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The InChIKey is MXABONAGOCENMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-10-6-4-9(5-7-10)13(21)8-14(19)20-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H2,19,20).
What are the key properties of N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide has a molecular weight of 292.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).