2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

C15H20INO2 — CID 103769325

IUPAC2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCOCC2)c1I
InChIInChI=1S/C15H20INO2/c1-10-4-3-5-13(14(10)16)15(18)17-11(2)12-6-8-19-9-7-12/h3-5,11-12H,6-9H2,1-2H3,(H,17,18)
InChIKeyXCHNVXBMOBDJIT-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.14
Rot. Bonds3

About 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (PubChem CID 103769325) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
PubChem CID103769325
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCOCC2)c1I
InChIInChI=1S/C15H20INO2/c1-10-4-3-5-13(14(10)16)15(18)17-11(2)12-6-8-19-9-7-12/h3-5,11-12H,6-9H2,1-2H3,(H,17,18)
InChIKeyXCHNVXBMOBDJIT-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99717080
N-[1-(oxan-4-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102559752
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 114115346
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
CID 138045628
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (CID 103769325) is 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is Cc1cccc(C(=O)NC(C)C2CCOCC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is XCHNVXBMOBDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-10-4-3-5-13(14(10)16)15(18)17-11(2)12-6-8-19-9-7-12/h3-5,11-12H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 373.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 103769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).