2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide

C10H9IN2O3 — CID 19617721

IUPAC2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)cc(I)c1OCC(N)=O
InChIInChI=1S/C10H9IN2O3/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3H,5H2,1H3,(H2,13,14)
InChIKeyNYONQZSRBMDEHH-UHFFFAOYSA-N
MW332.10 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide

2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide (PubChem CID 19617721) has the molecular formula C10H9IN2O3 and a molecular weight of 332.10 g/mol. Its IUPAC name is 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide
PubChem CID19617721
Molecular FormulaC10H9IN2O3
Molecular Weight332.10 g/mol
Exact Mass331.97
IUPAC Name2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)cc(I)c1OCC(N)=O
InChIInChI=1S/C10H9IN2O3/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3H,5H2,1H3,(H2,13,14)
InChIKeyNYONQZSRBMDEHH-UHFFFAOYSA-N
XLogP1.04
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-5-methoxy-4-prop-2-ynoxybenzonitrile
CID 6456880
3-iodo-5-methoxy-4-(2-phenylethoxy)benzonitrile
CID 2229018
4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 91683464
(E)-3-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 126231203
4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 2974967
2-[4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-2,6-dimethoxyphenoxy]acetamide
CID 55715861
3-(hydroxymethyl)-5-iodo-4-methoxybenzonitrile
CID 131285018
(E)-2-cyano-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enamide
CID 2360173
3-bromo-5-methoxy-4-phenacyloxybenzonitrile
CID 2975409
(Z)-2-cyano-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enamide
CID 2360174
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
4-[(2Z)-2-[[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6151354

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide?
The IUPAC name of 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide (CID 19617721) is 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide.
What is the SMILES notation for 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide?
The canonical SMILES for 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide is COc1cc(C#N)cc(I)c1OCC(N)=O.
What is the InChIKey of 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide?
The InChIKey is NYONQZSRBMDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O3/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3H,5H2,1H3,(H2,13,14).
What are the key properties of 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide?
2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide has a molecular weight of 332.10 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-iodo-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 19617721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).