N'-(2-bromophenyl)benzenecarboximidamide

C13H11BrN2 — CID 63178973

IUPACN'-(2-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccccc1Br)c1ccccc1
InChIInChI=1S/C13H11BrN2/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-9H,(H2,15,16)
InChIKeyWEMAQNLUJMUHLN-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.49
Rot. Bonds2

About N'-(2-bromophenyl)benzenecarboximidamide

N'-(2-bromophenyl)benzenecarboximidamide (PubChem CID 63178973) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N'-(2-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)benzenecarboximidamide
PubChem CID63178973
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC NameN'-(2-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccccc1Br)c1ccccc1
InChIInChI=1S/C13H11BrN2/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-9H,(H2,15,16)
InChIKeyWEMAQNLUJMUHLN-UHFFFAOYSA-N
XLogP3.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)benzenecarboximidamide?
The IUPAC name of N'-(2-bromophenyl)benzenecarboximidamide (CID 63178973) is N'-(2-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-bromophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-bromophenyl)benzenecarboximidamide is N/C(=N\c1ccccc1Br)c1ccccc1.
What is the InChIKey of N'-(2-bromophenyl)benzenecarboximidamide?
The InChIKey is WEMAQNLUJMUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-9H,(H2,15,16).
What are the key properties of N'-(2-bromophenyl)benzenecarboximidamide?
N'-(2-bromophenyl)benzenecarboximidamide has a molecular weight of 275.15 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 63178973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).