N'-amino-4-bromo-2-chlorobenzenecarboximidamide

C7H7BrClN3 — CID 61361774

IUPACN'-amino-4-bromo-2-chlorobenzenecarboximidamide
SMILESNN=C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClN3/c8-4-1-2-5(6(9)3-4)7(10)12-11/h1-3H,11H2,(H2,10,12)
InChIKeyQTPAYFACNMXBQE-UHFFFAOYSA-N
MW248.51 g/mol
LogP1.68
Rot. Bonds1

About N'-amino-4-bromo-2-chlorobenzenecarboximidamide

N'-amino-4-bromo-2-chlorobenzenecarboximidamide (PubChem CID 61361774) has the molecular formula C7H7BrClN3 and a molecular weight of 248.51 g/mol. Its IUPAC name is N'-amino-4-bromo-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-bromo-2-chlorobenzenecarboximidamide
PubChem CID61361774
Molecular FormulaC7H7BrClN3
Molecular Weight248.51 g/mol
Exact Mass246.95
IUPAC NameN'-amino-4-bromo-2-chlorobenzenecarboximidamide
SMILESNN=C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClN3/c8-4-1-2-5(6(9)3-4)7(10)12-11/h1-3H,11H2,(H2,10,12)
InChIKeyQTPAYFACNMXBQE-UHFFFAOYSA-N
XLogP1.68
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-amino-4-bromo-2-chlorobenzenecarboximidamide?
The IUPAC name of N'-amino-4-bromo-2-chlorobenzenecarboximidamide (CID 61361774) is N'-amino-4-bromo-2-chlorobenzenecarboximidamide.
What is the SMILES notation for N'-amino-4-bromo-2-chlorobenzenecarboximidamide?
The canonical SMILES for N'-amino-4-bromo-2-chlorobenzenecarboximidamide is NN=C(N)c1ccc(Br)cc1Cl.
What is the InChIKey of N'-amino-4-bromo-2-chlorobenzenecarboximidamide?
The InChIKey is QTPAYFACNMXBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3/c8-4-1-2-5(6(9)3-4)7(10)12-11/h1-3H,11H2,(H2,10,12).
What are the key properties of N'-amino-4-bromo-2-chlorobenzenecarboximidamide?
N'-amino-4-bromo-2-chlorobenzenecarboximidamide has a molecular weight of 248.51 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-bromo-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 61361774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).