N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide

C15H13ClINO — CID 1287536

IUPACN-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(C)c1
InChIInChI=1S/C15H13ClINO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyNUUXHKMGGIVUEF-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.81
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide

N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide (PubChem CID 1287536) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
PubChem CID1287536
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC NameN-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(C)c1
InChIInChI=1S/C15H13ClINO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyNUUXHKMGGIVUEF-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide (CID 1287536) is N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(C)c1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide?
The InChIKey is NUUXHKMGGIVUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide?
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide 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 N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 1287536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).