2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide

C13H9Cl3N2O — CID 63524494

IUPAC2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(16)12(11)13(17)18/h1-6H,(H3,17,18)
InChIKeySXOJDSXJZFXHAU-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.72
Rot. Bonds3

About 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide

2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide (PubChem CID 63524494) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
PubChem CID63524494
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(16)12(11)13(17)18/h1-6H,(H3,17,18)
InChIKeySXOJDSXJZFXHAU-UHFFFAOYSA-N
XLogP4.72
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.72
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-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
CID 63992956
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide (CID 63524494) is 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide?
The InChIKey is SXOJDSXJZFXHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(16)12(11)13(17)18/h1-6H,(H3,17,18).
What are the key properties of 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide?
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide has a molecular weight of 315.59 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 63524494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).