N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide

C13H6BrF4NO — CID 65469148

IUPACN-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cccc(F)c1F
InChIInChI=1S/C13H6BrF4NO/c14-6-4-9(16)12(10(17)5-6)19-13(20)7-2-1-3-8(15)11(7)18/h1-5H,(H,19,20)
InChIKeyBCQANMZPZSFINL-UHFFFAOYSA-N
MW348.09 g/mol
LogP4.26
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide

N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide (PubChem CID 65469148) has the molecular formula C13H6BrF4NO and a molecular weight of 348.09 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
PubChem CID65469148
Molecular FormulaC13H6BrF4NO
Molecular Weight348.09 g/mol
Exact Mass346.96
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cccc(F)c1F
InChIInChI=1S/C13H6BrF4NO/c14-6-4-9(16)12(10(17)5-6)19-13(20)7-2-1-3-8(15)11(7)18/h1-5H,(H,19,20)
InChIKeyBCQANMZPZSFINL-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

Analyze N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide (CID 65469148) is N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide is O=C(Nc1c(F)cc(Br)cc1F)c1cccc(F)c1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide?
The InChIKey is BCQANMZPZSFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF4NO/c14-6-4-9(16)12(10(17)5-6)19-13(20)7-2-1-3-8(15)11(7)18/h1-5H,(H,19,20).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide?
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide 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 N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide is sourced from PubChem (CID 65469148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).