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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Related Compounds

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
CID 163236401
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
CID 171990634
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 165116052
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
CID 165116197

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).