3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide

C15H9BrN4O — CID 107786866

IUPAC3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1C#N
InChIInChI=1S/C15H9BrN4O/c16-12-3-10(4-13(19)6-12)15(21)20-14-2-1-9(7-17)11(5-14)8-18/h1-6H,19H2,(H,20,21)
InChIKeyPIOAUDYVFONCDP-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.03
Rot. Bonds2

About 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide

3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide (PubChem CID 107786866) has the molecular formula C15H9BrN4O and a molecular weight of 341.17 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
PubChem CID107786866
Molecular FormulaC15H9BrN4O
Molecular Weight341.17 g/mol
Exact Mass340.00
IUPAC Name3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1C#N
InChIInChI=1S/C15H9BrN4O/c16-12-3-10(4-13(19)6-12)15(21)20-14-2-1-9(7-17)11(5-14)8-18/h1-6H,19H2,(H,20,21)
InChIKeyPIOAUDYVFONCDP-UHFFFAOYSA-N
XLogP3.03
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699369
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)acetamide
CID 12938829

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide (CID 107786866) is 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cc(N)cc(Br)c2)cc1C#N.
What is the InChIKey of 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide?
The InChIKey is PIOAUDYVFONCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O/c16-12-3-10(4-13(19)6-12)15(21)20-14-2-1-9(7-17)11(5-14)8-18/h1-6H,19H2,(H,20,21).
What are the key properties of 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide?
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide has a molecular weight of 341.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide is sourced from PubChem (CID 107786866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).