2-(3-iodophenoxy)-N-prop-2-enylacetamide

C11H12INO2 — CID 60626724

IUPAC2-(3-iodophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(I)c1
InChIInChI=1S/C11H12INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h2-5,7H,1,6,8H2,(H,13,14)
InChIKeyIKCZLNZFFWQSQY-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.97
Rot. Bonds5

About 2-(3-iodophenoxy)-N-prop-2-enylacetamide

2-(3-iodophenoxy)-N-prop-2-enylacetamide (PubChem CID 60626724) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-prop-2-enylacetamide
PubChem CID60626724
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name2-(3-iodophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(I)c1
InChIInChI=1S/C11H12INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h2-5,7H,1,6,8H2,(H,13,14)
InChIKeyIKCZLNZFFWQSQY-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 54908616
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-iodophenoxy)-N-prop-2-enylacetamide (CID 60626724) is 2-(3-iodophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-iodophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-iodophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-prop-2-enylacetamide?
The InChIKey is IKCZLNZFFWQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h2-5,7H,1,6,8H2,(H,13,14).
What are the key properties of 2-(3-iodophenoxy)-N-prop-2-enylacetamide?
2-(3-iodophenoxy)-N-prop-2-enylacetamide has a molecular weight of 317.13 g/mol, XLogP of 1.97, 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-prop-2-enylacetamide is sourced from PubChem (CID 60626724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).