2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide

C14H18INO2 — CID 103993683

IUPAC2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1ccccc1I
InChIInChI=1S/C14H18INO2/c15-13-7-2-1-6-12(13)14(17)16-9-8-11-5-3-4-10-18-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,17)
InChIKeyMCTCKJHPZGNBEC-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.98
Rot. Bonds4

About 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide

2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide (PubChem CID 103993683) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
PubChem CID103993683
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1ccccc1I
InChIInChI=1S/C14H18INO2/c15-13-7-2-1-6-12(13)14(17)16-9-8-11-5-3-4-10-18-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,17)
InChIKeyMCTCKJHPZGNBEC-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.98
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

3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
2-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-6-phenylpyridine-3-carboxamide
CID 97002216
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide (CID 103993683) is 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide is O=C(NCCC1CCCCO1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The InChIKey is MCTCKJHPZGNBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c15-13-7-2-1-6-12(13)14(17)16-9-8-11-5-3-4-10-18-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,17).
What are the key properties of 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 103993683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).