N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide

C8H9ClFN3 — CID 61360851

IUPACN-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(F)cc1Cl
InChIInChI=1S/C8H9ClFN3/c1-12-8(13-11)6-3-2-5(10)4-7(6)9/h2-4H,11H2,1H3,(H,12,13)
InChIKeyJLHQWAHEOCZRIV-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.32
Rot. Bonds1

About N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide

N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide (PubChem CID 61360851) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide
PubChem CID61360851
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC NameN-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(F)cc1Cl
InChIInChI=1S/C8H9ClFN3/c1-12-8(13-11)6-3-2-5(10)4-7(6)9/h2-4H,11H2,1H3,(H,12,13)
InChIKeyJLHQWAHEOCZRIV-UHFFFAOYSA-N
XLogP1.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide (CID 61360851) is N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide is C/N=C(\NN)c1ccc(F)cc1Cl.
What is the InChIKey of N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
The InChIKey is JLHQWAHEOCZRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c1-12-8(13-11)6-3-2-5(10)4-7(6)9/h2-4H,11H2,1H3,(H,12,13).
What are the key properties of N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide?
N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide has a molecular weight of 201.63 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 61360851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).