2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide

C20H15F3N2 — CID 118916841

IUPAC2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NC(F)(F)F)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2/c21-20(22,23)25-19(24)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H,(H2,24,25)
InChIKeyJMSUWSUUDSHEGV-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.25
Rot. Bonds3

About 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide

2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide (PubChem CID 118916841) has the molecular formula C20H15F3N2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide
PubChem CID118916841
Molecular FormulaC20H15F3N2
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NC(F)(F)F)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2/c21-20(22,23)25-19(24)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H,(H2,24,25)
InChIKeyJMSUWSUUDSHEGV-UHFFFAOYSA-N
XLogP5.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide (CID 118916841) is 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide is NC(=NC(F)(F)F)c1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is JMSUWSUUDSHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2/c21-20(22,23)25-19(24)17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1-13H,(H2,24,25).
What are the key properties of 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide?
2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 340.35 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 118916841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).