4-bromo-N-(4-bromophenyl)iminobenzamide

C13H8Br2N2O — CID 12065809

IUPAC4-bromo-N-(4-bromophenyl)iminobenzamide
SMILESO=C(/N=N/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2N2O/c14-10-3-1-9(2-4-10)13(18)17-16-12-7-5-11(15)6-8-12/h1-8H/b17-16+
InChIKeyPHHKWJYEELHAPE-WUKNDPDISA-N
MW368.03 g/mol
LogP5.14
Rot. Bonds2

About 4-bromo-N-(4-bromophenyl)iminobenzamide

4-bromo-N-(4-bromophenyl)iminobenzamide (PubChem CID 12065809) has the molecular formula C13H8Br2N2O and a molecular weight of 368.03 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)iminobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)iminobenzamide
PubChem CID12065809
Molecular FormulaC13H8Br2N2O
Molecular Weight368.03 g/mol
Exact Mass365.90
IUPAC Name4-bromo-N-(4-bromophenyl)iminobenzamide
SMILESO=C(/N=N/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2N2O/c14-10-3-1-9(2-4-10)13(18)17-16-12-7-5-11(15)6-8-12/h1-8H/b17-16+
InChIKeyPHHKWJYEELHAPE-WUKNDPDISA-N
XLogP5.14
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.03
LogP ≤ 55.14
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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Related Compounds

Benzamide, N-(4-bromophenyl)-
CID 101357
Benzoic acid, 2-(4-bromophenyl)hydrazide
CID 51297
4-bromo-N-phenylbenzamide
CID 690966
4-Bromobenzoic acid 2-phenylhydrazide
CID 33244
1-Benzoyl-2-phenyldiazene
CID 12350617
(2E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 44592179
4-Bromo-n-(4-bromophenyl)benzamide
CID 532154
Benzoic acid, 2-(2,4-dibromophenyl)hydrazide
CID 200686
[(E)-(4-Bromophenyl)diazenyl](phenyl)methanone
CID 13119845
4-bromo-N'-(2,6-dibromophenyl)benzohydrazide
CID 168294847
2-bromo-N'-phenylbenzohydrazide
CID 795493
4-bromo-N-(4-bromophenyl)-3-fluorobenzamide
CID 47421880

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)iminobenzamide?
The IUPAC name of 4-bromo-N-(4-bromophenyl)iminobenzamide (CID 12065809) is 4-bromo-N-(4-bromophenyl)iminobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)iminobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)iminobenzamide is O=C(/N=N/c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)iminobenzamide?
The InChIKey is PHHKWJYEELHAPE-WUKNDPDISA-N. The full InChI is InChI=1S/C13H8Br2N2O/c14-10-3-1-9(2-4-10)13(18)17-16-12-7-5-11(15)6-8-12/h1-8H/b17-16+.
What are the key properties of 4-bromo-N-(4-bromophenyl)iminobenzamide?
4-bromo-N-(4-bromophenyl)iminobenzamide has a molecular weight of 368.03 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)iminobenzamide is sourced from PubChem (CID 12065809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).