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

C13H8BrClINO — CID 47183104

IUPAC4-bromo-N-(2-chloro-4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClINO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)15/h1-7H,(H,17,18)
InChIKeyGZMTWIGXZDSWHL-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.96
Rot. Bonds2

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

4-bromo-N-(2-chloro-4-iodophenyl)benzamide (PubChem CID 47183104) has the molecular formula C13H8BrClINO and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-iodophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-iodophenyl)benzamide
PubChem CID47183104
Molecular FormulaC13H8BrClINO
Molecular Weight436.47 g/mol
Exact Mass434.85
IUPAC Name4-bromo-N-(2-chloro-4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClINO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)15/h1-7H,(H,17,18)
InChIKeyGZMTWIGXZDSWHL-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

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)benzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)benzamide (CID 47183104) is 4-bromo-N-(2-chloro-4-iodophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-iodophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-iodophenyl)benzamide is O=C(Nc1ccc(I)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-chloro-4-iodophenyl)benzamide?
The InChIKey is GZMTWIGXZDSWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClINO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)15/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(2-chloro-4-iodophenyl)benzamide?
4-bromo-N-(2-chloro-4-iodophenyl)benzamide 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 4-bromo-N-(2-chloro-4-iodophenyl)benzamide is sourced from PubChem (CID 47183104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).