N-(4-bromo-2-iodophenyl)benzamide

C13H9BrINO — CID 3321693

IUPACN-(4-bromo-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1I)c1ccccc1
InChIInChI=1S/C13H9BrINO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyVLGDDXBCPRWUQF-UHFFFAOYSA-N
MW402.03 g/mol
LogP4.31
Rot. Bonds2

About N-(4-bromo-2-iodophenyl)benzamide

N-(4-bromo-2-iodophenyl)benzamide (PubChem CID 3321693) has the molecular formula C13H9BrINO and a molecular weight of 402.03 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)benzamide
PubChem CID3321693
Molecular FormulaC13H9BrINO
Molecular Weight402.03 g/mol
Exact Mass400.89
IUPAC NameN-(4-bromo-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1I)c1ccccc1
InChIInChI=1S/C13H9BrINO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyVLGDDXBCPRWUQF-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.03
LogP ≤ 54.31
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

4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
4-bromo-N-[(4-bromo-2-iodophenyl)carbamothioyl]benzamide
CID 4212705
N-(4-bromo-2-iodophenyl)carbamate
CID 23023627
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
CID 4263729
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)benzamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)benzamide (CID 3321693) is N-(4-bromo-2-iodophenyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)benzamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)benzamide is O=C(Nc1ccc(Br)cc1I)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-iodophenyl)benzamide?
The InChIKey is VLGDDXBCPRWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17).
What are the key properties of N-(4-bromo-2-iodophenyl)benzamide?
N-(4-bromo-2-iodophenyl)benzamide has a molecular weight of 402.03 g/mol, XLogP of 4.31, 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-iodophenyl)benzamide is sourced from PubChem (CID 3321693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).