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

C13H8Br2INO — CID 3934518

IUPAC4-bromo-N-(4-bromo-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1I)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2INO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,(H,17,18)
InChIKeyQPPUINHEIUCGOX-UHFFFAOYSA-N
MW480.93 g/mol
LogP5.07
Rot. Bonds2

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

4-bromo-N-(4-bromo-2-iodophenyl)benzamide (PubChem CID 3934518) has the molecular formula C13H8Br2INO and a molecular weight of 480.93 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-iodophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-iodophenyl)benzamide
PubChem CID3934518
Molecular FormulaC13H8Br2INO
Molecular Weight480.93 g/mol
Exact Mass478.80
IUPAC Name4-bromo-N-(4-bromo-2-iodophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1I)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2INO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,(H,17,18)
InChIKeyQPPUINHEIUCGOX-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.93
LogP ≤ 55.07
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-(4-bromo-2-iodophenyl)benzamide
CID 3321693
4-bromo-N-[(4-bromo-2-iodophenyl)carbamothioyl]benzamide
CID 4212705
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)-4-propoxybenzamide
CID 3888317
N-(4-bromo-2-iodophenyl)carbamate
CID 23023627
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
CID 4263729
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-ethylbenzamide
CID 4000278
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-iodophenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-iodophenyl)benzamide (CID 3934518) is 4-bromo-N-(4-bromo-2-iodophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-iodophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-iodophenyl)benzamide is O=C(Nc1ccc(Br)cc1I)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromo-2-iodophenyl)benzamide?
The InChIKey is QPPUINHEIUCGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2INO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(4-bromo-2-iodophenyl)benzamide?
4-bromo-N-(4-bromo-2-iodophenyl)benzamide has a molecular weight of 480.93 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-iodophenyl)benzamide is sourced from PubChem (CID 3934518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).