3-chloro-4-fluoro-N'-methylbenzenecarboximidamide

C8H8ClFN2 — CID 63181209

IUPAC3-chloro-4-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H2,11,12)
InChIKeyZARJYNBQTFFERI-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.81
Rot. Bonds1

About 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide

3-chloro-4-fluoro-N'-methylbenzenecarboximidamide (PubChem CID 63181209) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N'-methylbenzenecarboximidamide
PubChem CID63181209
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name3-chloro-4-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H2,11,12)
InChIKeyZARJYNBQTFFERI-UHFFFAOYSA-N
XLogP1.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.81
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 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide (CID 63181209) is 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The InChIKey is ZARJYNBQTFFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H2,11,12).
What are the key properties of 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
3-chloro-4-fluoro-N'-methylbenzenecarboximidamide has a molecular weight of 186.62 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 63181209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).