4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide

C13H9Br2N3O3 — CID 114904941

IUPAC4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C13H9Br2N3O3/c14-7-4-5-8(13(16)17)11(6-7)21-10-3-1-2-9(12(10)15)18(19)20/h1-6H,(H3,16,17)
InChIKeyDQJKHFRQHIEELA-UHFFFAOYSA-N
MW415.04 g/mol
LogP4.20
Rot. Bonds4

About 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide

4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide (PubChem CID 114904941) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
PubChem CID114904941
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C13H9Br2N3O3/c14-7-4-5-8(13(16)17)11(6-7)21-10-3-1-2-9(12(10)15)18(19)20/h1-6H,(H3,16,17)
InChIKeyDQJKHFRQHIEELA-UHFFFAOYSA-N
XLogP4.20
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 54.20
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
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
CID 114902541
2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769397
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
4-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114904744
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295
4-bromo-2-(2-bromo-6-nitrophenoxy)benzoic acid
CID 81495959

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide (CID 114904941) is 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Oc1cccc([N+](=O)[O-])c1Br.
What is the InChIKey of 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide?
The InChIKey is DQJKHFRQHIEELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c14-7-4-5-8(13(16)17)11(6-7)21-10-3-1-2-9(12(10)15)18(19)20/h1-6H,(H3,16,17).
What are the key properties of 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide?
4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide has a molecular weight of 415.04 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 114904941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).