N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide

C14H10ClF3N2 — CID 90028076

IUPACN'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide
SMILESN/C=N/c1cccc(C(F)(F)F)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF3N2/c15-10-4-1-3-9(7-10)13-11(14(16,17)18)5-2-6-12(13)20-8-19/h1-8H,(H2,19,20)
InChIKeyFGVBCLNYFWZFPU-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.64
Rot. Bonds2

About N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide

N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 90028076) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide
PubChem CID90028076
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC NameN'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide
SMILESN/C=N/c1cccc(C(F)(F)F)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF3N2/c15-10-4-1-3-9(7-10)13-11(14(16,17)18)5-2-6-12(13)20-8-19/h1-8H,(H2,19,20)
InChIKeyFGVBCLNYFWZFPU-UHFFFAOYSA-N
XLogP4.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.64
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide (CID 90028076) is N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide is N/C=N/c1cccc(C(F)(F)F)c1-c1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is FGVBCLNYFWZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c15-10-4-1-3-9(7-10)13-11(14(16,17)18)5-2-6-12(13)20-8-19/h1-8H,(H2,19,20).
What are the key properties of N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide?
N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 298.70 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)-3-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 90028076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).