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

C14H9BrFN3O — CID 107796954

IUPAC4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H9BrFN3O/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)
InChIKeyLBQBBMCIABYLJK-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.29
Rot. Bonds2

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

4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide (PubChem CID 107796954) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
PubChem CID107796954
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H9BrFN3O/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)
InChIKeyLBQBBMCIABYLJK-UHFFFAOYSA-N
XLogP3.29
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.29
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
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide (CID 107796954) is 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide?
The InChIKey is LBQBBMCIABYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/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-fluorobenzamide?
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide has a molecular weight of 334.15 g/mol, XLogP of 3.29, 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-fluorobenzamide is sourced from PubChem (CID 107796954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).