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

C13H8BrF2NO — CID 65436517

IUPACN-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccccc1F
InChIInChI=1S/C13H8BrF2NO/c14-10-6-5-8(7-12(10)16)17-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,17,18)
InChIKeyBGRWYILFRCYGJN-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.98
Rot. Bonds2

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

N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide (PubChem CID 65436517) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
PubChem CID65436517
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1ccccc1F
InChIInChI=1S/C13H8BrF2NO/c14-10-6-5-8(7-12(10)16)17-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,17,18)
InChIKeyBGRWYILFRCYGJN-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
CID 10783699
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide (CID 65436517) is N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)c(F)c1)c1ccccc1F.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide?
The InChIKey is BGRWYILFRCYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-10-6-5-8(7-12(10)16)17-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide?
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide has a molecular weight of 312.11 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 65436517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).