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

C14H9BrClN3O — CID 107796977

IUPAC4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H9BrClN3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-12(18)11(16)5-8/h1-6H,18H2,(H,19,20)
InChIKeyDBMWGXUDWOUOHW-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.81
Rot. Bonds2

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

4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide (PubChem CID 107796977) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
PubChem CID107796977
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H9BrClN3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-12(18)11(16)5-8/h1-6H,18H2,(H,19,20)
InChIKeyDBMWGXUDWOUOHW-UHFFFAOYSA-N
XLogP3.81
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.81
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
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide?
The IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide (CID 107796977) is 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide?
The InChIKey is DBMWGXUDWOUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-10-3-1-9(7-17)13(6-10)19-14(20)8-2-4-12(18)11(16)5-8/h1-6H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide?
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide has a molecular weight of 350.60 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide is sourced from PubChem (CID 107796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).