N-(4-bromophenyl)iminobenzamide

C13H9BrN2O — CID 13119845

IUPACN-(4-bromophenyl)iminobenzamide
SMILESO=C(/N=N/c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C13H9BrN2O/c14-11-6-8-12(9-7-11)15-16-13(17)10-4-2-1-3-5-10/h1-9H/b16-15+
InChIKeyDDQXNFQGOLRMDY-FOCLMDBBSA-N
MW289.13 g/mol
LogP4.37
Rot. Bonds2

About N-(4-bromophenyl)iminobenzamide

N-(4-bromophenyl)iminobenzamide (PubChem CID 13119845) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is N-(4-bromophenyl)iminobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)iminobenzamide
PubChem CID13119845
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC NameN-(4-bromophenyl)iminobenzamide
SMILESO=C(/N=N/c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C13H9BrN2O/c14-11-6-8-12(9-7-11)15-16-13(17)10-4-2-1-3-5-10/h1-9H/b16-15+
InChIKeyDDQXNFQGOLRMDY-FOCLMDBBSA-N
XLogP4.37
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)iminobenzamide?
The IUPAC name of N-(4-bromophenyl)iminobenzamide (CID 13119845) is N-(4-bromophenyl)iminobenzamide.
What is the SMILES notation for N-(4-bromophenyl)iminobenzamide?
The canonical SMILES for N-(4-bromophenyl)iminobenzamide is O=C(/N=N/c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)iminobenzamide?
The InChIKey is DDQXNFQGOLRMDY-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-11-6-8-12(9-7-11)15-16-13(17)10-4-2-1-3-5-10/h1-9H/b16-15+.
What are the key properties of N-(4-bromophenyl)iminobenzamide?
N-(4-bromophenyl)iminobenzamide has a molecular weight of 289.13 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)iminobenzamide is sourced from PubChem (CID 13119845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).