N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide

C13H7BrCl2INO — CID 114259361

IUPACN-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)c(I)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7BrCl2INO/c14-10-3-2-8(6-12(10)17)18-13(19)9-5-7(15)1-4-11(9)16/h1-6H,(H,18,19)
InChIKeyGDUSVUSJYWDJLP-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.61
Rot. Bonds2

About N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide

N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide (PubChem CID 114259361) has the molecular formula C13H7BrCl2INO and a molecular weight of 470.92 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
PubChem CID114259361
Molecular FormulaC13H7BrCl2INO
Molecular Weight470.92 g/mol
Exact Mass468.81
IUPAC NameN-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)c(I)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7BrCl2INO/c14-10-3-2-8(6-12(10)17)18-13(19)9-5-7(15)1-4-11(9)16/h1-6H,(H,18,19)
InChIKeyGDUSVUSJYWDJLP-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.61
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

2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide (CID 114259361) is N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide is O=C(Nc1ccc(Br)c(I)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide?
The InChIKey is GDUSVUSJYWDJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2INO/c14-10-3-2-8(6-12(10)17)18-13(19)9-5-7(15)1-4-11(9)16/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide?
N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide has a molecular weight of 470.92 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 114259361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).