2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride

C13H11Cl2FN2O — CID 82240764

IUPAC2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2O.ClH/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17;/h1-7H,(H3,16,17);1H
InChIKeyUCGCCUCZUCAFEO-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride

2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride (PubChem CID 82240764) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
PubChem CID82240764
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2O.ClH/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17;/h1-7H,(H3,16,17);1H
InChIKeyUCGCCUCZUCAFEO-UHFFFAOYSA-N
XLogP3.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride (CID 82240764) is 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1c(F)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride?
The InChIKey is UCGCCUCZUCAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O.ClH/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17;/h1-7H,(H3,16,17);1H.
What are the key properties of 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride?
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride has a molecular weight of 301.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).