5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide

C21H20INO — CID 68562302

IUPAC5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide
SMILESCc1ccc(I)cc1C(=O)NCC(C)c1cccc2ccccc12
InChIInChI=1S/C21H20INO/c1-14-10-11-17(22)12-20(14)21(24)23-13-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15H,13H2,1-2H3,(H,23,24)
InChIKeyXOZXJGLBNJQZGZ-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.29
Rot. Bonds4

About 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide

5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide (PubChem CID 68562302) has the molecular formula C21H20INO and a molecular weight of 429.30 g/mol. Its IUPAC name is 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide
PubChem CID68562302
Molecular FormulaC21H20INO
Molecular Weight429.30 g/mol
Exact Mass429.06
IUPAC Name5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide
SMILESCc1ccc(I)cc1C(=O)NCC(C)c1cccc2ccccc12
InChIInChI=1S/C21H20INO/c1-14-10-11-17(22)12-20(14)21(24)23-13-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15H,13H2,1-2H3,(H,23,24)
InChIKeyXOZXJGLBNJQZGZ-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.29
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 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide (CID 68562302) is 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide is Cc1ccc(I)cc1C(=O)NCC(C)c1cccc2ccccc12.
What is the InChIKey of 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide?
The InChIKey is XOZXJGLBNJQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20INO/c1-14-10-11-17(22)12-20(14)21(24)23-13-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15H,13H2,1-2H3,(H,23,24).
What are the key properties of 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide?
5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 68562302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).