3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide

C13H6Br2ClF2NO — CID 107470673

IUPAC3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-8-3-1-2-7(11(8)18)13(20)19-12-9(15)4-6(17)5-10(12)16/h1-5H,(H,19,20)
InChIKeyGZGJFSJYFSXKRN-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.40
Rot. Bonds2

About 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide

3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide (PubChem CID 107470673) has the molecular formula C13H6Br2ClF2NO and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
PubChem CID107470673
Molecular FormulaC13H6Br2ClF2NO
Molecular Weight425.45 g/mol
Exact Mass422.85
IUPAC Name3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-8-3-1-2-7(11(8)18)13(20)19-12-9(15)4-6(17)5-10(12)16/h1-5H,(H,19,20)
InChIKeyGZGJFSJYFSXKRN-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731622
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide (CID 107470673) is 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide?
The InChIKey is GZGJFSJYFSXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClF2NO/c14-8-3-1-2-7(11(8)18)13(20)19-12-9(15)4-6(17)5-10(12)16/h1-5H,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide?
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide has a molecular weight of 425.45 g/mol, XLogP of 5.40, 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-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 107470673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).