2-(3-bromophenyl)benzenecarboximidamide

C13H11BrN2 — CID 6344753

IUPAC2-(3-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyVAJYNJQWRHTODQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.40
Rot. Bonds2

About 2-(3-bromophenyl)benzenecarboximidamide

2-(3-bromophenyl)benzenecarboximidamide (PubChem CID 6344753) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(3-bromophenyl)benzenecarboximidamide
PubChem CID6344753
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name2-(3-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyVAJYNJQWRHTODQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
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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Related Compounds

bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
sodium 2-(3-bromophenyl)thiobenzate
CID 175100140
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565961
2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
CID 107279964
2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
CID 6345491
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
1H-benzimidazole;2-phenylbenzenecarboximidamide
CID 158117325
[2-(3-bromophenyl)phenyl]methanol
CID 1393420
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
1-[2-(3-phenylphenyl)phenyl]ethanimine
CID 170152317

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)benzenecarboximidamide?
The IUPAC name of 2-(3-bromophenyl)benzenecarboximidamide (CID 6344753) is 2-(3-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for 2-(3-bromophenyl)benzenecarboximidamide?
The canonical SMILES for 2-(3-bromophenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)benzenecarboximidamide?
The InChIKey is VAJYNJQWRHTODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 2-(3-bromophenyl)benzenecarboximidamide?
2-(3-bromophenyl)benzenecarboximidamide has a molecular weight of 275.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 6344753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).