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

C13H7BrClF2NO — CID 113264517

IUPACN-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrClF2NO/c14-9-3-2-8(16)6-12(9)18-13(19)7-1-4-11(17)10(15)5-7/h1-6H,(H,18,19)
InChIKeyILLXITSFDFOMEY-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide (PubChem CID 113264517) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
PubChem CID113264517
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC NameN-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrClF2NO/c14-9-3-2-8(16)6-12(9)18-13(19)7-1-4-11(17)10(15)5-7/h1-6H,(H,18,19)
InChIKeyILLXITSFDFOMEY-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide (CID 113264517) is N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide is O=C(Nc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide?
The InChIKey is ILLXITSFDFOMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-9-3-2-8(16)6-12(9)18-13(19)7-1-4-11(17)10(15)5-7/h1-6H,(H,18,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide?
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide has a molecular weight of 346.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 113264517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).