3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide

C14H7BrClFN2O — CID 103826905

IUPAC3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrClFN2O/c15-9-4-8(5-10(16)6-9)14(20)19-13-3-1-2-12(17)11(13)7-18/h1-6H,(H,19,20)
InChIKeyCFBZPLBYFSTHSE-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.37
Rot. Bonds2

About 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide

3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide (PubChem CID 103826905) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
PubChem CID103826905
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrClFN2O/c15-9-4-8(5-10(16)6-9)14(20)19-13-3-1-2-12(17)11(13)7-18/h1-6H,(H,19,20)
InChIKeyCFBZPLBYFSTHSE-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

3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 43580727
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide (CID 103826905) is 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide is N#Cc1c(F)cccc1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide?
The InChIKey is CFBZPLBYFSTHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-9-4-8(5-10(16)6-9)14(20)19-13-3-1-2-12(17)11(13)7-18/h1-6H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide?
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide 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 3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide is sourced from PubChem (CID 103826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).