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

C14H7BrClFN2O — CID 104880414

IUPACN-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H7BrClFN2O/c15-10-3-1-9(7-18)13(6-10)19-14(20)8-2-4-12(17)11(16)5-8/h1-6H,(H,19,20)
InChIKeyDGPOETHFGSELMD-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.37
Rot. Bonds2

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

N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide (PubChem CID 104880414) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
PubChem CID104880414
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC NameN-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H7BrClFN2O/c15-10-3-1-9(7-18)13(6-10)19-14(20)8-2-4-12(17)11(16)5-8/h1-6H,(H,19,20)
InChIKeyDGPOETHFGSELMD-UHFFFAOYSA-N
XLogP4.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide (CID 104880414) is N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide?
The InChIKey is DGPOETHFGSELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-10-3-1-9(7-18)13(6-10)19-14(20)8-2-4-12(17)11(16)5-8/h1-6H,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide?
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide has a molecular weight of 353.58 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 104880414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).