2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide

C13H9Cl2N3O3 — CID 63992956

IUPAC2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-8-5-4-7(18(19)20)6-11(8)21-10-3-1-2-9(15)12(10)13(16)17/h1-6H,(H3,16,17)
InChIKeyLNIZDFYPPQDRHM-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide

2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide (PubChem CID 63992956) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
PubChem CID63992956
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-8-5-4-7(18(19)20)6-11(8)21-10-3-1-2-9(15)12(10)13(16)17/h1-6H,(H3,16,17)
InChIKeyLNIZDFYPPQDRHM-UHFFFAOYSA-N
XLogP3.98
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-(2-chloro-5-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107110702
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-(2-bromo-5-nitrophenoxy)-6-chlorobenzoic acid
CID 103010752
2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
CID 79017446
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide (CID 63992956) is 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide?
The InChIKey is LNIZDFYPPQDRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-8-5-4-7(18(19)20)6-11(8)21-10-3-1-2-9(15)12(10)13(16)17/h1-6H,(H3,16,17).
What are the key properties of 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide?
2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide has a molecular weight of 326.14 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 63992956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).