2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide

C13H9BrClN3O3 — CID 107279610

IUPAC2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1Br
InChIInChI=1S/C13H9BrClN3O3/c14-10-6-8(2-3-9(10)13(16)17)21-12-5-7(15)1-4-11(12)18(19)20/h1-6H,(H3,16,17)
InChIKeyPJOTWFGONXUPER-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.09
Rot. Bonds4

About 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide

2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide (PubChem CID 107279610) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
PubChem CID107279610
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1Br
InChIInChI=1S/C13H9BrClN3O3/c14-10-6-8(2-3-9(10)13(16)17)21-12-5-7(15)1-4-11(12)18(19)20/h1-6H,(H3,16,17)
InChIKeyPJOTWFGONXUPER-UHFFFAOYSA-N
XLogP4.09
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.09
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

4-bromo-2-(4-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 114904854
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 62307325
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-(4,5-dichloro-2-nitrophenoxy)benzenecarboximidamide
CID 107500011
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide (CID 107279610) is 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1Br.
What is the InChIKey of 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide?
The InChIKey is PJOTWFGONXUPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-10-6-8(2-3-9(10)13(16)17)21-12-5-7(15)1-4-11(12)18(19)20/h1-6H,(H3,16,17).
What are the key properties of 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide?
2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide has a molecular weight of 370.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107279610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).