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

C13H7BrF3NO — CID 103707138

IUPAC3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cccc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H7BrF3NO/c14-8-6-7(4-5-9(8)15)13(19)18-11-3-1-2-10(16)12(11)17/h1-6H,(H,18,19)
InChIKeyVWCGSNWFZNUYKB-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

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

3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide (PubChem CID 103707138) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
PubChem CID103707138
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC Name3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1cccc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H7BrF3NO/c14-8-6-7(4-5-9(8)15)13(19)18-11-3-1-2-10(16)12(11)17/h1-6H,(H,18,19)
InChIKeyVWCGSNWFZNUYKB-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

3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
N-(2,3-difluorophenyl)benzamide
CID 139202270
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide (CID 103707138) is 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide is O=C(Nc1cccc(F)c1F)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide?
The InChIKey is VWCGSNWFZNUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-8-6-7(4-5-9(8)15)13(19)18-11-3-1-2-10(16)12(11)17/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide?
3-bromo-N-(2,3-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 3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103707138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).