2-iodo-N-(oxan-4-yl)benzamide

C12H14INO2 — CID 61063086

IUPAC2-iodo-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1I
InChIInChI=1S/C12H14INO2/c13-11-4-2-1-3-10(11)12(15)14-9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyLXENAXWNTVDGRZ-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.20
Rot. Bonds2

About 2-iodo-N-(oxan-4-yl)benzamide

2-iodo-N-(oxan-4-yl)benzamide (PubChem CID 61063086) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-iodo-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(oxan-4-yl)benzamide
PubChem CID61063086
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name2-iodo-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1I
InChIInChI=1S/C12H14INO2/c13-11-4-2-1-3-10(11)12(15)14-9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyLXENAXWNTVDGRZ-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.20
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

N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
4-Formyl-N-(1-methylethyl)benzamide
CID 83270
N-Isopropylbenzamide
CID 79503
N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995
N-Cyclohexylbenzamide
CID 15657
N-4-Piperidylbenzamide
CID 118120
N-Allylbenzamide
CID 307242
Benzamide, N-cyclopropyl-
CID 27133
N-(Tetrahydro-2-oxo-3-furanyl)benzamide
CID 97839
N-(1-Phenylethyl)benzamide
CID 264840

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-iodo-N-(oxan-4-yl)benzamide (CID 61063086) is 2-iodo-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-iodo-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(oxan-4-yl)benzamide?
The InChIKey is LXENAXWNTVDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-11-4-2-1-3-10(11)12(15)14-9-5-7-16-8-6-9/h1-4,9H,5-8H2,(H,14,15).
What are the key properties of 2-iodo-N-(oxan-4-yl)benzamide?
2-iodo-N-(oxan-4-yl)benzamide has a molecular weight of 331.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 61063086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).