3-bromo-5-phenylbenzenecarboximidamide

C13H11BrN2 — CID 58943197

IUPAC3-bromo-5-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C13H11BrN2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyLRTSLRREBWNLBU-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.40
Rot. Bonds2

About 3-bromo-5-phenylbenzenecarboximidamide

3-bromo-5-phenylbenzenecarboximidamide (PubChem CID 58943197) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-bromo-5-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-5-phenylbenzenecarboximidamide
PubChem CID58943197
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name3-bromo-5-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C13H11BrN2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyLRTSLRREBWNLBU-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenylbenzenecarboximidamide?
The IUPAC name of 3-bromo-5-phenylbenzenecarboximidamide (CID 58943197) is 3-bromo-5-phenylbenzenecarboximidamide.
What is the SMILES notation for 3-bromo-5-phenylbenzenecarboximidamide?
The canonical SMILES for 3-bromo-5-phenylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Br)cc(-c2ccccc2)c1.
What is the InChIKey of 3-bromo-5-phenylbenzenecarboximidamide?
The InChIKey is LRTSLRREBWNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H3,15,16).
What are the key properties of 3-bromo-5-phenylbenzenecarboximidamide?
3-bromo-5-phenylbenzenecarboximidamide 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 3-bromo-5-phenylbenzenecarboximidamide is sourced from PubChem (CID 58943197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).