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

C13H7Br2F2NO — CID 102848004

IUPAC4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H7Br2F2NO/c14-8-3-1-7(2-4-8)13(19)18-12-5-9(15)10(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyZOOSEIORWUIBBT-UHFFFAOYSA-N
MW391.01 g/mol
LogP4.74
Rot. Bonds2

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

4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide (PubChem CID 102848004) has the molecular formula C13H7Br2F2NO and a molecular weight of 391.01 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
PubChem CID102848004
Molecular FormulaC13H7Br2F2NO
Molecular Weight391.01 g/mol
Exact Mass388.89
IUPAC Name4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H7Br2F2NO/c14-8-3-1-7(2-4-8)13(19)18-12-5-9(15)10(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyZOOSEIORWUIBBT-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.01
LogP ≤ 54.74
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

4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 99824990
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide (CID 102848004) is 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide is O=C(Nc1cc(Br)c(F)cc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide?
The InChIKey is ZOOSEIORWUIBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2NO/c14-8-3-1-7(2-4-8)13(19)18-12-5-9(15)10(16)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide?
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide has a molecular weight of 391.01 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide is sourced from PubChem (CID 102848004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).