4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide

C13H9Cl2FN2O — CID 55257647

IUPAC4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H3,17,18)
InChIKeyXTIJPKLVEXBCCB-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide

4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide (PubChem CID 55257647) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
PubChem CID55257647
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H3,17,18)
InChIKeyXTIJPKLVEXBCCB-UHFFFAOYSA-N
XLogP4.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.21
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-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
2-(4-bromo-2-fluorophenoxy)-4-chlorobenzenecarboximidamide
CID 63093540
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide (CID 55257647) is 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
The InChIKey is XTIJPKLVEXBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-11(16)10(15)6-8/h1-6H,(H3,17,18).
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide?
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide has a molecular weight of 299.13 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 55257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).