N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide

C13H7BrF2INO — CID 113230989

IUPACN-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc(I)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C13H7BrF2INO/c14-10-4-2-8(17)6-12(10)18-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,18,19)
InChIKeyXTGOOCWXKIWIJX-UHFFFAOYSA-N
MW438.01 g/mol
LogP4.58
Rot. Bonds2

About N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide

N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide (PubChem CID 113230989) has the molecular formula C13H7BrF2INO and a molecular weight of 438.01 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
PubChem CID113230989
Molecular FormulaC13H7BrF2INO
Molecular Weight438.01 g/mol
Exact Mass436.87
IUPAC NameN-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc(I)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C13H7BrF2INO/c14-10-4-2-8(17)6-12(10)18-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,18,19)
InChIKeyXTGOOCWXKIWIJX-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.01
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide (CID 113230989) is N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide is O=C(Nc1cc(I)ccc1Br)c1ccc(F)cc1F.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide?
The InChIKey is XTGOOCWXKIWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2INO/c14-10-4-2-8(17)6-12(10)18-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,18,19).
What are the key properties of N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide?
N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide has a molecular weight of 438.01 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 113230989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).