2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide

C13H6Br2F3NO — CID 107612432

IUPAC2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cccc(F)c1Br
InChIInChI=1S/C13H6Br2F3NO/c14-7-4-10(18)11(5-9(7)17)19-13(20)6-2-1-3-8(16)12(6)15/h1-5H,(H,19,20)
InChIKeySWAIPMFZYVFOFO-UHFFFAOYSA-N
MW409.00 g/mol
LogP4.88
Rot. Bonds2

About 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide

2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide (PubChem CID 107612432) has the molecular formula C13H6Br2F3NO and a molecular weight of 409.00 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
PubChem CID107612432
Molecular FormulaC13H6Br2F3NO
Molecular Weight409.00 g/mol
Exact Mass406.88
IUPAC Name2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cccc(F)c1Br
InChIInChI=1S/C13H6Br2F3NO/c14-7-4-10(18)11(5-9(7)17)19-13(20)6-2-1-3-8(16)12(6)15/h1-5H,(H,19,20)
InChIKeySWAIPMFZYVFOFO-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(4-bromo-2,5-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 103842634
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide (CID 107612432) is 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide is O=C(Nc1cc(F)c(Br)cc1F)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The InChIKey is SWAIPMFZYVFOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F3NO/c14-7-4-10(18)11(5-9(7)17)19-13(20)6-2-1-3-8(16)12(6)15/h1-5H,(H,19,20).
What are the key properties of 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide has a molecular weight of 409.00 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 107612432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).