5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide

C13H6Br2ClF2NO — CID 103842628

IUPAC5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H6Br2ClF2NO/c14-6-1-2-9(16)7(3-6)13(20)19-12-5-10(17)8(15)4-11(12)18/h1-5H,(H,19,20)
InChIKeyYQBIIAUIEKCSAQ-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.40
Rot. Bonds2

About 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide

5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide (PubChem CID 103842628) has the molecular formula C13H6Br2ClF2NO and a molecular weight of 425.45 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
PubChem CID103842628
Molecular FormulaC13H6Br2ClF2NO
Molecular Weight425.45 g/mol
Exact Mass422.85
IUPAC Name5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H6Br2ClF2NO/c14-6-1-2-9(16)7(3-6)13(20)19-12-5-10(17)8(15)4-11(12)18/h1-5H,(H,19,20)
InChIKeyYQBIIAUIEKCSAQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide (CID 103842628) is 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide is O=C(Nc1cc(F)c(Br)cc1F)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide?
The InChIKey is YQBIIAUIEKCSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClF2NO/c14-6-1-2-9(16)7(3-6)13(20)19-12-5-10(17)8(15)4-11(12)18/h1-5H,(H,19,20).
What are the key properties of 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide?
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide 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 5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 103842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).