3-chloro-5-fluorobenzenecarboximidamide

C7H6ClFN2 — CID 53403977

IUPAC3-chloro-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C7H6ClFN2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11)
InChIKeyICMZGVXHZODTIS-UHFFFAOYSA-N
MW172.59 g/mol
LogP1.76
Rot. Bonds1

About 3-chloro-5-fluorobenzenecarboximidamide

3-chloro-5-fluorobenzenecarboximidamide (PubChem CID 53403977) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 3-chloro-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-5-fluorobenzenecarboximidamide
PubChem CID53403977
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name3-chloro-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C7H6ClFN2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11)
InChIKeyICMZGVXHZODTIS-UHFFFAOYSA-N
XLogP1.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-chloro-5-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluorobenzenecarboximidamide?
The IUPAC name of 3-chloro-5-fluorobenzenecarboximidamide (CID 53403977) is 3-chloro-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-chloro-5-fluorobenzenecarboximidamide?
The canonical SMILES for 3-chloro-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluorobenzenecarboximidamide?
The InChIKey is ICMZGVXHZODTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11).
What are the key properties of 3-chloro-5-fluorobenzenecarboximidamide?
3-chloro-5-fluorobenzenecarboximidamide has a molecular weight of 172.59 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 53403977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).