2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide

C13H7BrF3NO — CID 24710516

IUPAC2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrF3NO/c14-10-5-7(15)1-3-9(10)13(19)18-12-6-8(16)2-4-11(12)17/h1-6H,(H,18,19)
InChIKeyIMLKZTFRXCZEFH-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

About 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide

2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide (PubChem CID 24710516) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
PubChem CID24710516
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC Name2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrF3NO/c14-10-5-7(15)1-3-9(10)13(19)18-12-6-8(16)2-4-11(12)17/h1-6H,(H,18,19)
InChIKeyIMLKZTFRXCZEFH-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide (CID 24710516) is 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide is O=C(Nc1cc(F)ccc1F)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide?
The InChIKey is IMLKZTFRXCZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-10-5-7(15)1-3-9(10)13(19)18-12-6-8(16)2-4-11(12)17/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide?
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide has a molecular weight of 330.10 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 24710516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).