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

C13H7BrF3NO — CID 103842544

IUPACN-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C13H7BrF3NO/c14-9-5-11(17)12(6-10(9)16)18-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,18,19)
InChIKeyXYOAXDKSNXQASI-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

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

N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide (PubChem CID 103842544) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
PubChem CID103842544
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C13H7BrF3NO/c14-9-5-11(17)12(6-10(9)16)18-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,18,19)
InChIKeyXYOAXDKSNXQASI-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

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide (CID 103842544) is N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide is O=C(Nc1cc(F)c(Br)cc1F)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide?
The InChIKey is XYOAXDKSNXQASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-9-5-11(17)12(6-10(9)16)18-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide?
N-(4-bromo-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 N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103842544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).