5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide

C15H13ClINO — CID 38885805

IUPAC5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2I)c(C)c1
InChIInChI=1S/C15H13ClINO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPFUGEKSWWQWJTF-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide

5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide (PubChem CID 38885805) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
PubChem CID38885805
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC Name5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2I)c(C)c1
InChIInChI=1S/C15H13ClINO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPFUGEKSWWQWJTF-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.81
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

N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
CID 60602258
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide (CID 38885805) is 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide is Cc1ccc(NC(=O)c2cc(Cl)ccc2I)c(C)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide?
The InChIKey is PFUGEKSWWQWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide?
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide has a molecular weight of 385.63 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide is sourced from PubChem (CID 38885805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).