(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide

C17H16INO3 — CID 26688134

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2I)cc(OC)c1
InChIInChI=1S/C17H16INO3/c1-21-13-9-12(10-14(11-13)22-2)7-8-17(20)19-16-6-4-3-5-15(16)18/h3-11H,1-2H3,(H,19,20)/b8-7+
InChIKeyHOIFIJGVWMLBHD-BQYQJAHWSA-N
MW409.22 g/mol
LogP3.96
Rot. Bonds5

About (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide (PubChem CID 26688134) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
PubChem CID26688134
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2I)cc(OC)c1
InChIInChI=1S/C17H16INO3/c1-21-13-9-12(10-14(11-13)22-2)7-8-17(20)19-16-6-4-3-5-15(16)18/h3-11H,1-2H3,(H,19,20)/b8-7+
InChIKeyHOIFIJGVWMLBHD-BQYQJAHWSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-N-(3-iodo-4-pyridinyl)prop-2-enamide
CID 75380093
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide
CID 55612956
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26692900
(E)-N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26705873
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide (CID 26688134) is (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccccc2I)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide?
The InChIKey is HOIFIJGVWMLBHD-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16INO3/c1-21-13-9-12(10-14(11-13)22-2)7-8-17(20)19-16-6-4-3-5-15(16)18/h3-11H,1-2H3,(H,19,20)/b8-7+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide has a molecular weight of 409.22 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide is sourced from PubChem (CID 26688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).