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

C17H16INO3 — CID 7928435

IUPAC(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(I)c2)c1OC
InChIInChI=1S/C17H16INO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyWPUWCFQYAXVYAB-MDZDMXLPSA-N
MW409.22 g/mol
LogP3.96
Rot. Bonds5

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

(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide (PubChem CID 7928435) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
PubChem CID7928435
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(I)c2)c1OC
InChIInChI=1S/C17H16INO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyWPUWCFQYAXVYAB-MDZDMXLPSA-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'}

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Related Compounds

(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
(Z)-3-(2,3-dimethoxyphenyl)-N-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
CID 136696075

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide (CID 7928435) is (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cccc(I)c2)c1OC.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide?
The InChIKey is WPUWCFQYAXVYAB-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16INO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide?
(E)-3-(2,3-dimethoxyphenyl)-N-(3-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-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide is sourced from PubChem (CID 7928435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).