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

C14H7Br2FN2O — CID 106544569

IUPAC3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)c2F)c(Br)c1
InChIInChI=1S/C14H7Br2FN2O/c15-10-3-1-2-9(13(10)17)14(20)19-12-5-4-8(7-18)6-11(12)16/h1-6H,(H,19,20)
InChIKeyOXWQNKAWITUWBQ-UHFFFAOYSA-N
MW398.03 g/mol
LogP4.47
Rot. Bonds2

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

3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide (PubChem CID 106544569) has the molecular formula C14H7Br2FN2O and a molecular weight of 398.03 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
PubChem CID106544569
Molecular FormulaC14H7Br2FN2O
Molecular Weight398.03 g/mol
Exact Mass395.89
IUPAC Name3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)c2F)c(Br)c1
InChIInChI=1S/C14H7Br2FN2O/c15-10-3-1-2-9(13(10)17)14(20)19-12-5-4-8(7-18)6-11(12)16/h1-6H,(H,19,20)
InChIKeyOXWQNKAWITUWBQ-UHFFFAOYSA-N
XLogP4.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.03
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide (CID 106544569) is 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide is N#Cc1ccc(NC(=O)c2cccc(Br)c2F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide?
The InChIKey is OXWQNKAWITUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2FN2O/c15-10-3-1-2-9(13(10)17)14(20)19-12-5-4-8(7-18)6-11(12)16/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide?
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide has a molecular weight of 398.03 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide is sourced from PubChem (CID 106544569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).