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

C13H9BrClN3O3 — CID 114893295

IUPAC5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H9BrClN3O3/c14-7-1-3-11(9(5-7)13(16)17)21-12-4-2-8(18(19)20)6-10(12)15/h1-6H,(H3,16,17)
InChIKeyAZUFFQPIDPMBBO-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.09
Rot. Bonds4

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

5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide (PubChem CID 114893295) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
PubChem CID114893295
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H9BrClN3O3/c14-7-1-3-11(9(5-7)13(16)17)21-12-4-2-8(18(19)20)6-10(12)15/h1-6H,(H3,16,17)
InChIKeyAZUFFQPIDPMBBO-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'}

Analyze 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
CID 62508136
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
4-bromo-2-(4-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 114904854
1-(4-bromo-2-chlorophenoxy)-2,4-dinitrobenzene
CID 9311080
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
2-[(2-chloro-4-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030670
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
5-bromo-2-(2-bromo-4-nitrophenoxy)benzoic acid
CID 107730221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide (CID 114893295) is 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide?
The InChIKey is AZUFFQPIDPMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-7-1-3-11(9(5-7)13(16)17)21-12-4-2-8(18(19)20)6-10(12)15/h1-6H,(H3,16,17).
What are the key properties of 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide?
5-bromo-2-(2-chloro-4-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 5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 114893295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).