4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

C14H12BrClN2 — CID 20706432

IUPAC4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18)
InChIKeyWLBKMSKFXJJNPW-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (PubChem CID 20706432) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
PubChem CID20706432
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18)
InChIKeyWLBKMSKFXJJNPW-UHFFFAOYSA-N
XLogP4.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.01
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 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (CID 20706432) is 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The InChIKey is WLBKMSKFXJJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18).
What are the key properties of 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide has a molecular weight of 323.62 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 20706432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).