(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide

C16H14INO2 — CID 1308180

IUPAC(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14INO2/c1-20-15-5-3-2-4-12(15)6-11-16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b11-6+
InChIKeyDAAVDRDIMCUEJL-IZZDOVSWSA-N
MW379.20 g/mol
LogP3.95
Rot. Bonds4

About (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 1308180) has the molecular formula C16H14INO2 and a molecular weight of 379.20 g/mol. Its IUPAC name is (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID1308180
Molecular FormulaC16H14INO2
Molecular Weight379.20 g/mol
Exact Mass379.01
IUPAC Name(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14INO2/c1-20-15-5-3-2-4-12(15)6-11-16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b11-6+
InChIKeyDAAVDRDIMCUEJL-IZZDOVSWSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 17111218
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 6235261
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857760
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 1308180) is (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is DAAVDRDIMCUEJL-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H14INO2/c1-20-15-5-3-2-4-12(15)6-11-16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b11-6+.
What are the key properties of (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 379.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1308180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).