N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide

C12H14INOSe — CID 101244503

IUPACN-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C/[Se]c1ccccc1C
InChIInChI=1S/C12H14INOSe/c1-9-5-3-4-6-12(9)16-8-11(13)7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)/b11-8-
InChIKeyJWLAYNZHRYERNT-FLIBITNWSA-N
MW394.11 g/mol
LogP1.74
Rot. Bonds4

About N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide

N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide (PubChem CID 101244503) has the molecular formula C12H14INOSe and a molecular weight of 394.11 g/mol. Its IUPAC name is N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide
PubChem CID101244503
Molecular FormulaC12H14INOSe
Molecular Weight394.11 g/mol
Exact Mass394.93
IUPAC NameN-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C/[Se]c1ccccc1C
InChIInChI=1S/C12H14INOSe/c1-9-5-3-4-6-12(9)16-8-11(13)7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)/b11-8-
InChIKeyJWLAYNZHRYERNT-FLIBITNWSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide (CID 101244503) is N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide is CC(=O)NC/C(I)=C/[Se]c1ccccc1C.
What is the InChIKey of N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide?
The InChIKey is JWLAYNZHRYERNT-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14INOSe/c1-9-5-3-4-6-12(9)16-8-11(13)7-14-10(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)/b11-8-.
What are the key properties of N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide?
N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide has a molecular weight of 394.11 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide is sourced from PubChem (CID 101244503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).