N-(2-bromo-5-chlorophenyl)-3-iodobenzamide

C13H8BrClINO — CID 81270343

IUPACN-(2-bromo-5-chlorophenyl)-3-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cccc(I)c1
InChIInChI=1S/C13H8BrClINO/c14-11-5-4-9(15)7-12(11)17-13(18)8-2-1-3-10(16)6-8/h1-7H,(H,17,18)
InChIKeyLIXBXXFKWZNREK-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.96
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-3-iodobenzamide

N-(2-bromo-5-chlorophenyl)-3-iodobenzamide (PubChem CID 81270343) has the molecular formula C13H8BrClINO and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-iodobenzamide
PubChem CID81270343
Molecular FormulaC13H8BrClINO
Molecular Weight436.47 g/mol
Exact Mass434.85
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cccc(I)c1
InChIInChI=1S/C13H8BrClINO/c14-11-5-4-9(15)7-12(11)17-13(18)8-2-1-3-10(16)6-8/h1-7H,(H,17,18)
InChIKeyLIXBXXFKWZNREK-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.96
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-bromophenyl)-3-iodobenzamide
CID 3258895
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-iodobenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-iodobenzamide (CID 81270343) is N-(2-bromo-5-chlorophenyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-iodobenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-iodobenzamide is O=C(Nc1cc(Cl)ccc1Br)c1cccc(I)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-iodobenzamide?
The InChIKey is LIXBXXFKWZNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClINO/c14-11-5-4-9(15)7-12(11)17-13(18)8-2-1-3-10(16)6-8/h1-7H,(H,17,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-iodobenzamide?
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide has a molecular weight of 436.47 g/mol, XLogP of 4.96, 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-chlorophenyl)-3-iodobenzamide is sourced from PubChem (CID 81270343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).