3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide

C14H9Br2N3O — CID 107796982

IUPAC3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H9Br2N3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-11(16)12(18)5-8/h1-6H,18H2,(H,19,20)
InChIKeyAFHLINUROCYJKJ-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide

3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide (PubChem CID 107796982) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
PubChem CID107796982
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H9Br2N3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-11(16)12(18)5-8/h1-6H,18H2,(H,19,20)
InChIKeyAFHLINUROCYJKJ-UHFFFAOYSA-N
XLogP3.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
3-amino-4-bromo-N-(4-cyanophenyl)benzamide
CID 61091150
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide (CID 107796982) is 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The InChIKey is AFHLINUROCYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-11(16)12(18)5-8/h1-6H,18H2,(H,19,20).
What are the key properties of 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide has a molecular weight of 395.05 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide is sourced from PubChem (CID 107796982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).