2-(3-iodophenoxy)-N-propylacetamide

C11H14INO2 — CID 60626728

IUPAC2-(3-iodophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyQHVRAMPCRAJNCC-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.20
Rot. Bonds5

About 2-(3-iodophenoxy)-N-propylacetamide

2-(3-iodophenoxy)-N-propylacetamide (PubChem CID 60626728) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-propylacetamide
PubChem CID60626728
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name2-(3-iodophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyQHVRAMPCRAJNCC-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
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-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
CID 34578953
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-[(3-iodophenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066884
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-propylacetamide?
The IUPAC name of 2-(3-iodophenoxy)-N-propylacetamide (CID 60626728) is 2-(3-iodophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(3-iodophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(3-iodophenoxy)-N-propylacetamide is CCCNC(=O)COc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-propylacetamide?
The InChIKey is QHVRAMPCRAJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,13,14).
What are the key properties of 2-(3-iodophenoxy)-N-propylacetamide?
2-(3-iodophenoxy)-N-propylacetamide has a molecular weight of 319.14 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-N-propylacetamide is sourced from PubChem (CID 60626728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).