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

C14H9Br2N3O — CID 115297136

IUPAC5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)ccc2Br)c(Br)c1
InChIInChI=1S/C14H9Br2N3O/c15-11-3-2-9(18)6-10(11)14(20)19-13-4-1-8(7-17)5-12(13)16/h1-6H,18H2,(H,19,20)
InChIKeyYQGWOZGOGWUSOW-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.92
Rot. Bonds2

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

5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide (PubChem CID 115297136) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
PubChem CID115297136
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)ccc2Br)c(Br)c1
InChIInChI=1S/C14H9Br2N3O/c15-11-3-2-9(18)6-10(11)14(20)19-13-4-1-8(7-17)5-12(13)16/h1-6H,18H2,(H,19,20)
InChIKeyYQGWOZGOGWUSOW-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

2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide (CID 115297136) is 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cc(N)ccc2Br)c(Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide?
The InChIKey is YQGWOZGOGWUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-11-3-2-9(18)6-10(11)14(20)19-13-4-1-8(7-17)5-12(13)16/h1-6H,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide?
5-amino-2-bromo-N-(2-bromo-4-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 5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide is sourced from PubChem (CID 115297136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).