(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide

C17H15F2NO2 — CID 51158911

IUPAC(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2NO2/c1-2-22-15-9-4-3-6-12(15)10-11-16(21)20-17-13(18)7-5-8-14(17)19/h3-11H,2H2,1H3,(H,20,21)/b11-10+
InChIKeyNIZQSJKMFJVKQF-ZHACJKMWSA-N
MW303.31 g/mol
LogP4.02
Rot. Bonds5

About (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide

(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 51158911) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID51158911
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2NO2/c1-2-22-15-9-4-3-6-12(15)10-11-16(21)20-17-13(18)7-5-8-14(17)19/h3-11H,2H2,1H3,(H,20,21)/b11-10+
InChIKeyNIZQSJKMFJVKQF-ZHACJKMWSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)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)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
CID 29304402
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (CID 51158911) is (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)Nc1c(F)cccc1F.
What is the InChIKey of (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is NIZQSJKMFJVKQF-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-2-22-15-9-4-3-6-12(15)10-11-16(21)20-17-13(18)7-5-8-14(17)19/h3-11H,2H2,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 303.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51158911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).