4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide

C13H6Br2ClF2NO — CID 81271266

IUPAC4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-6-3-9(17)12(10(18)4-6)13(20)19-11-5-7(16)1-2-8(11)15/h1-5H,(H,19,20)
InChIKeyCOZMVNWCMOKFEA-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.40
Rot. Bonds2

About 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide

4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide (PubChem CID 81271266) has the molecular formula C13H6Br2ClF2NO and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
PubChem CID81271266
Molecular FormulaC13H6Br2ClF2NO
Molecular Weight425.45 g/mol
Exact Mass422.85
IUPAC Name4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-6-3-9(17)12(10(18)4-6)13(20)19-11-5-7(16)1-2-8(11)15/h1-5H,(H,19,20)
InChIKeyCOZMVNWCMOKFEA-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

N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide (CID 81271266) is 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide is O=C(Nc1cc(Cl)ccc1Br)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide?
The InChIKey is COZMVNWCMOKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClF2NO/c14-6-3-9(17)12(10(18)4-6)13(20)19-11-5-7(16)1-2-8(11)15/h1-5H,(H,19,20).
What are the key properties of 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide?
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide 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 4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 81271266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).