N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide

C14H13FN2 — CID 4852087

IUPACN-(4-fluorophenyl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FN2/c1-16-14(11-5-3-2-4-6-11)17-13-9-7-12(15)8-10-13/h2-10H,1H3,(H,16,17)
InChIKeyROXYPUZVLFJIKR-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.31
Rot. Bonds2

About N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide

N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide (PubChem CID 4852087) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-methylbenzenecarboximidamide
PubChem CID4852087
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-(4-fluorophenyl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FN2/c1-16-14(11-5-3-2-4-6-11)17-13-9-7-12(15)8-10-13/h2-10H,1H3,(H,16,17)
InChIKeyROXYPUZVLFJIKR-UHFFFAOYSA-N
XLogP3.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.31
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-(4-fluorophenyl)-N'-methylbenzenecarboximidamide?
The IUPAC name of N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide (CID 4852087) is N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide is C/N=C(/Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide?
The InChIKey is ROXYPUZVLFJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c1-16-14(11-5-3-2-4-6-11)17-13-9-7-12(15)8-10-13/h2-10H,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide?
N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide has a molecular weight of 228.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 4852087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).