3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide

C13H9Cl2N3O3 — CID 107716974

IUPAC3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c14-8-2-1-3-10(18(19)20)12(8)21-11-5-4-7(13(16)17)6-9(11)15/h1-6H,(H3,16,17)
InChIKeyXZSQWBZUPMYOEI-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.98
Rot. Bonds4

About 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide

3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide (PubChem CID 107716974) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
PubChem CID107716974
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c14-8-2-1-3-10(18(19)20)12(8)21-11-5-4-7(13(16)17)6-9(11)15/h1-6H,(H3,16,17)
InChIKeyXZSQWBZUPMYOEI-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-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
4-(4,5-dichloro-2-nitrophenoxy)benzenecarboximidamide
CID 107500011
3-bromo-4-(5-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 82786749
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide
CID 2798123
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide (CID 107716974) is 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide?
The InChIKey is XZSQWBZUPMYOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-8-2-1-3-10(18(19)20)12(8)21-11-5-4-7(13(16)17)6-9(11)15/h1-6H,(H3,16,17).
What are the key properties of 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide?
3-chloro-4-(2-chloro-6-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 3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107716974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).