N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide

C7H8BrClN4 — CID 155468247

IUPACN,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide
SMILESN/N=C\N(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN4/c8-6-3-5(9)1-2-7(6)13(11)4-12-10/h1-4H,10-11H2/b12-4-
InChIKeyIDZRDRHXQDIQNN-QCDXTXTGSA-N
MW263.53 g/mol
LogP1.68
Rot. Bonds2

About N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide

N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide (PubChem CID 155468247) has the molecular formula C7H8BrClN4 and a molecular weight of 263.53 g/mol. Its IUPAC name is N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide
PubChem CID155468247
Molecular FormulaC7H8BrClN4
Molecular Weight263.53 g/mol
Exact Mass261.96
IUPAC NameN,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide
SMILESN/N=C\N(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN4/c8-6-3-5(9)1-2-7(6)13(11)4-12-10/h1-4H,10-11H2/b12-4-
InChIKeyIDZRDRHXQDIQNN-QCDXTXTGSA-N
XLogP1.68
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.53
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide?
The IUPAC name of N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide (CID 155468247) is N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide.
What is the SMILES notation for N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide?
The canonical SMILES for N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide is N/N=C\N(N)c1ccc(Cl)cc1Br.
What is the InChIKey of N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide?
The InChIKey is IDZRDRHXQDIQNN-QCDXTXTGSA-N. The full InChI is InChI=1S/C7H8BrClN4/c8-6-3-5(9)1-2-7(6)13(11)4-12-10/h1-4H,10-11H2/b12-4-.
What are the key properties of N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide?
N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide has a molecular weight of 263.53 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-(2-bromo-4-chlorophenyl)methanimidamide is sourced from PubChem (CID 155468247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).