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

C13H7BrCl2INO — CID 114024506

IUPAC2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2INO/c14-10-5-7(15)1-3-9(10)13(19)18-12-4-2-8(17)6-11(12)16/h1-6H,(H,18,19)
InChIKeySBQDBUCSLGHNNE-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.61
Rot. Bonds2

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

2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide (PubChem CID 114024506) has the molecular formula C13H7BrCl2INO and a molecular weight of 470.92 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
PubChem CID114024506
Molecular FormulaC13H7BrCl2INO
Molecular Weight470.92 g/mol
Exact Mass468.81
IUPAC Name2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2INO/c14-10-5-7(15)1-3-9(10)13(19)18-12-4-2-8(17)6-11(12)16/h1-6H,(H,18,19)
InChIKeySBQDBUCSLGHNNE-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-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
5-chloro-N-(2-chloro-4-iodophenyl)-2-hydrazinylbenzamide
CID 107606119
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide (CID 114024506) is 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide is O=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide?
The InChIKey is SBQDBUCSLGHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2INO/c14-10-5-7(15)1-3-9(10)13(19)18-12-4-2-8(17)6-11(12)16/h1-6H,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide?
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide 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 2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide is sourced from PubChem (CID 114024506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).