2-(4-iodophenoxy)-N-prop-2-enylpropanamide

C12H14INO2 — CID 60675232

IUPAC2-(4-iodophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h3-7,9H,1,8H2,2H3,(H,14,15)
InChIKeyGATDXBICWPPKDX-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-iodophenoxy)-N-prop-2-enylpropanamide

2-(4-iodophenoxy)-N-prop-2-enylpropanamide (PubChem CID 60675232) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-prop-2-enylpropanamide
PubChem CID60675232
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name2-(4-iodophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h3-7,9H,1,8H2,2H3,(H,14,15)
InChIKeyGATDXBICWPPKDX-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.36
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-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
CID 60889157
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
3-[5-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxy-2-pyridinyl]prop-2-enoic acid
CID 79800685
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-iodophenoxy)-N-prop-2-enylpropanamide (CID 60675232) is 2-(4-iodophenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-prop-2-enylpropanamide?
The InChIKey is GATDXBICWPPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h3-7,9H,1,8H2,2H3,(H,14,15).
What are the key properties of 2-(4-iodophenoxy)-N-prop-2-enylpropanamide?
2-(4-iodophenoxy)-N-prop-2-enylpropanamide has a molecular weight of 331.15 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 60675232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).