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

C14H18INO2 — CID 103993198

IUPAC3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1cccc(I)c1
InChIInChI=1S/C14H18INO2/c15-12-5-3-4-11(10-12)14(17)16-8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyDMIKJNFGGYHLJL-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.98
Rot. Bonds4

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

3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide (PubChem CID 103993198) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
PubChem CID103993198
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1cccc(I)c1
InChIInChI=1S/C14H18INO2/c15-12-5-3-4-11(10-12)14(17)16-8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyDMIKJNFGGYHLJL-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-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The IUPAC name of 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide (CID 103993198) is 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide is O=C(NCCC1CCCCO1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
The InChIKey is DMIKJNFGGYHLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c15-12-5-3-4-11(10-12)14(17)16-8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17).
What are the key properties of 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide?
3-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 3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 103993198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).