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

C13H7BrF2INO — CID 103842493

IUPACN-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccccc1I
InChIInChI=1S/C13H7BrF2INO/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h1-6H,(H,18,19)
InChIKeyKPVPTBKEPSKICV-UHFFFAOYSA-N
MW438.01 g/mol
LogP4.58
Rot. Bonds2

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

N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide (PubChem CID 103842493) has the molecular formula C13H7BrF2INO and a molecular weight of 438.01 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
PubChem CID103842493
Molecular FormulaC13H7BrF2INO
Molecular Weight438.01 g/mol
Exact Mass436.87
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1ccccc1I
InChIInChI=1S/C13H7BrF2INO/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h1-6H,(H,18,19)
InChIKeyKPVPTBKEPSKICV-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide (CID 103842493) is N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide is O=C(Nc1cc(F)c(Br)cc1F)c1ccccc1I.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide?
The InChIKey is KPVPTBKEPSKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2INO/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide?
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide 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-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide is sourced from PubChem (CID 103842493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).