N-(1,2-dibromoethenylimino)benzamide

C9H6Br2N2O — CID 74053973

IUPACN-(1,2-dibromoethenylimino)benzamide
SMILESO=C(/N=N/C(Br)=CBr)c1ccccc1
InChIInChI=1S/C9H6Br2N2O/c10-6-8(11)12-13-9(14)7-4-2-1-3-5-7/h1-6H/b8-6?,13-12+
InChIKeyRHNGRUBHOVDPTQ-COMUDTEHSA-N
MW317.97 g/mol
LogP3.87
Rot. Bonds2

About N-(1,2-dibromoethenylimino)benzamide

N-(1,2-dibromoethenylimino)benzamide (PubChem CID 74053973) has the molecular formula C9H6Br2N2O and a molecular weight of 317.97 g/mol. Its IUPAC name is N-(1,2-dibromoethenylimino)benzamide.

Molecular Properties

Compound NameN-(1,2-dibromoethenylimino)benzamide
PubChem CID74053973
Molecular FormulaC9H6Br2N2O
Molecular Weight317.97 g/mol
Exact Mass315.88
IUPAC NameN-(1,2-dibromoethenylimino)benzamide
SMILESO=C(/N=N/C(Br)=CBr)c1ccccc1
InChIInChI=1S/C9H6Br2N2O/c10-6-8(11)12-13-9(14)7-4-2-1-3-5-7/h1-6H/b8-6?,13-12+
InChIKeyRHNGRUBHOVDPTQ-COMUDTEHSA-N
XLogP3.87
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 53.87
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dibromoethenylimino)benzamide?
The IUPAC name of N-(1,2-dibromoethenylimino)benzamide (CID 74053973) is N-(1,2-dibromoethenylimino)benzamide.
What is the SMILES notation for N-(1,2-dibromoethenylimino)benzamide?
The canonical SMILES for N-(1,2-dibromoethenylimino)benzamide is O=C(/N=N/C(Br)=CBr)c1ccccc1.
What is the InChIKey of N-(1,2-dibromoethenylimino)benzamide?
The InChIKey is RHNGRUBHOVDPTQ-COMUDTEHSA-N. The full InChI is InChI=1S/C9H6Br2N2O/c10-6-8(11)12-13-9(14)7-4-2-1-3-5-7/h1-6H/b8-6?,13-12+.
What are the key properties of N-(1,2-dibromoethenylimino)benzamide?
N-(1,2-dibromoethenylimino)benzamide has a molecular weight of 317.97 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dibromoethenylimino)benzamide is sourced from PubChem (CID 74053973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).