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

C13H9BrClIN2O — CID 107624145

IUPAC5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C13H9BrClIN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyFEZLHIQQUIQFTR-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.54
Rot. Bonds2

About 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide

5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide (PubChem CID 107624145) has the molecular formula C13H9BrClIN2O and a molecular weight of 451.49 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
PubChem CID107624145
Molecular FormulaC13H9BrClIN2O
Molecular Weight451.49 g/mol
Exact Mass449.86
IUPAC Name5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C13H9BrClIN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyFEZLHIQQUIQFTR-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide (CID 107624145) is 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide is Nc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide?
The InChIKey is FEZLHIQQUIQFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClIN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide?
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide has a molecular weight of 451.49 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide is sourced from PubChem (CID 107624145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).