4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide

C9H12ClIN3- — CID 45108829

IUPAC4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide
SMILESCN(C)/N=C(\N)c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C9H12ClN3.HI/c1-13(2)12-9(11)7-3-5-8(10)6-4-7;/h3-6H,1-2H3,(H2,11,12);1H/p-1
InChIKeyGTZABZGWHBHJOB-UHFFFAOYSA-M
MW324.57 g/mol
LogP-1.47
Rot. Bonds2

About 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide

4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide (PubChem CID 45108829) has the molecular formula C9H12ClIN3- and a molecular weight of 324.57 g/mol. Its IUPAC name is 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide.

Molecular Properties

Compound Name4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide
PubChem CID45108829
Molecular FormulaC9H12ClIN3-
Molecular Weight324.57 g/mol
Exact Mass323.98
IUPAC Name4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide
SMILESCN(C)/N=C(\N)c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C9H12ClN3.HI/c1-13(2)12-9(11)7-3-5-8(10)6-4-7;/h3-6H,1-2H3,(H2,11,12);1H/p-1
InChIKeyGTZABZGWHBHJOB-UHFFFAOYSA-M
XLogP-1.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 5-1.47
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'}, {'alert_name': 'iodine', '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 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide?
The IUPAC name of 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide (CID 45108829) is 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide.
What is the SMILES notation for 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide?
The canonical SMILES for 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide is CN(C)/N=C(\N)c1ccc(Cl)cc1.[I-].
What is the InChIKey of 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide?
The InChIKey is GTZABZGWHBHJOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12ClN3.HI/c1-13(2)12-9(11)7-3-5-8(10)6-4-7;/h3-6H,1-2H3,(H2,11,12);1H/p-1.
What are the key properties of 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide?
4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide has a molecular weight of 324.57 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide is sourced from PubChem (CID 45108829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).