3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

C19H18FN5O3 — CID 55813949

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C19H18FN5O3/c1-3-28-17-8-4-13(10-18(17)27-2)5-9-19(26)22-16-11-14(6-7-15(16)20)25-12-21-23-24-25/h4-12H,3H2,1-2H3,(H,22,26)
InChIKeyOQTWFQOTDGGSEX-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.86
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 55813949) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID55813949
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C19H18FN5O3/c1-3-28-17-8-4-13(10-18(17)27-2)5-9-19(26)22-16-11-14(6-7-15(16)20)25-12-21-23-24-25/h4-12H,3H2,1-2H3,(H,22,26)
InChIKeyOQTWFQOTDGGSEX-UHFFFAOYSA-N
XLogP2.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]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

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 55811842
3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55812028
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55814140
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8780190

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 55813949) is 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is OQTWFQOTDGGSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-3-28-17-8-4-13(10-18(17)27-2)5-9-19(26)22-16-11-14(6-7-15(16)20)25-12-21-23-24-25/h4-12H,3H2,1-2H3,(H,22,26).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 383.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55813949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).