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

C14H10BrClINO — CID 107606789

IUPAC4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10BrClINO/c1-8-6-9(15)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyLDTCALRSXORTEO-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.27
Rot. Bonds2

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

4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide (PubChem CID 107606789) has the molecular formula C14H10BrClINO and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
PubChem CID107606789
Molecular FormulaC14H10BrClINO
Molecular Weight450.50 g/mol
Exact Mass448.87
IUPAC Name4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10BrClINO/c1-8-6-9(15)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyLDTCALRSXORTEO-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide (CID 107606789) is 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide?
The InChIKey is LDTCALRSXORTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClINO/c1-8-6-9(15)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide?
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide has a molecular weight of 450.50 g/mol, XLogP of 5.27, 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)-2-methylbenzamide is sourced from PubChem (CID 107606789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).