N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide

C14H10FN3 — CID 71349171

IUPACN'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
SMILESN#Cc1ccc(/N=C(\N)c2cccc(F)c2)cc1
InChIInChI=1S/C14H10FN3/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H,(H2,17,18)
InChIKeyYWTOZMFAZTYJBF-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.73
Rot. Bonds2

About N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide

N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide (PubChem CID 71349171) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
PubChem CID71349171
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC NameN'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
SMILESN#Cc1ccc(/N=C(\N)c2cccc(F)c2)cc1
InChIInChI=1S/C14H10FN3/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H,(H2,17,18)
InChIKeyYWTOZMFAZTYJBF-UHFFFAOYSA-N
XLogP2.73
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.73
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide (CID 71349171) is N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide is N#Cc1ccc(/N=C(\N)c2cccc(F)c2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide?
The InChIKey is YWTOZMFAZTYJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-8H,(H2,17,18).
What are the key properties of N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide?
N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide has a molecular weight of 239.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 71349171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).