3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide

C13H5BrF5NO — CID 107953830

IUPAC3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H5BrF5NO/c14-6-3-5(1-2-7(6)15)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyDXSPCQYHXCPUNX-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide

3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide (PubChem CID 107953830) has the molecular formula C13H5BrF5NO and a molecular weight of 366.08 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
PubChem CID107953830
Molecular FormulaC13H5BrF5NO
Molecular Weight366.08 g/mol
Exact Mass364.95
IUPAC Name3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H5BrF5NO/c14-6-3-5(1-2-7(6)15)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyDXSPCQYHXCPUNX-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 54.40
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-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide (CID 107953830) is 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide is O=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The InChIKey is DXSPCQYHXCPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF5NO/c14-6-3-5(1-2-7(6)15)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21).
What are the key properties of 3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide?
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide has a molecular weight of 366.08 g/mol, XLogP of 4.40, 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-(2,3,5,6-tetrafluorophenyl)benzamide is sourced from PubChem (CID 107953830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).