3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide

C13H6BrF4NO — CID 103707329

IUPAC3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H6BrF4NO/c14-7-3-6(1-2-8(7)15)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20)
InChIKeyPRXBXECZHUMNQS-UHFFFAOYSA-N
MW348.09 g/mol
LogP4.26
Rot. Bonds2

About 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide

3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 103707329) has the molecular formula C13H6BrF4NO and a molecular weight of 348.09 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID103707329
Molecular FormulaC13H6BrF4NO
Molecular Weight348.09 g/mol
Exact Mass346.96
IUPAC Name3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H6BrF4NO/c14-7-3-6(1-2-8(7)15)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20)
InChIKeyPRXBXECZHUMNQS-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.09
LogP ≤ 54.26
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

3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide (CID 103707329) is 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)cc1F)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is PRXBXECZHUMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF4NO/c14-7-3-6(1-2-8(7)15)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide?
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 348.09 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 103707329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).