N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide

C19H15BrN2 — CID 44552388

IUPACN'-(2-bromophenyl)-N-phenylbenzenecarboximidamide
SMILESBrc1ccccc1/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2/c20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyYFKZEIFARBWLDL-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.64
Rot. Bonds3

About N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide

N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide (PubChem CID 44552388) has the molecular formula C19H15BrN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-phenylbenzenecarboximidamide
PubChem CID44552388
Molecular FormulaC19H15BrN2
Molecular Weight351.25 g/mol
Exact Mass350.04
IUPAC NameN'-(2-bromophenyl)-N-phenylbenzenecarboximidamide
SMILESBrc1ccccc1/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2/c20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyYFKZEIFARBWLDL-UHFFFAOYSA-N
XLogP5.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.64
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)-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide (CID 44552388) is N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide is Brc1ccccc1/N=C(\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide?
The InChIKey is YFKZEIFARBWLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2/c20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21-16-11-5-2-6-12-16/h1-14H,(H,21,22).
What are the key properties of N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide?
N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide has a molecular weight of 351.25 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 44552388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).