N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

C20H19FN2O3 — CID 2254239

IUPACN-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccc(F)cc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H19FN2O3/c21-17-8-6-15(7-9-17)14-18(20(25)23-10-12-26-13-11-23)22-19(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,24)/b18-14+
InChIKeyVCCPMGVNHVMUNJ-NBVRZTHBSA-N
MW354.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2254239) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2254239
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccc(F)cc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H19FN2O3/c21-17-8-6-15(7-9-17)14-18(20(25)23-10-12-26-13-11-23)22-19(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,24)/b18-14+
InChIKeyVCCPMGVNHVMUNJ-NBVRZTHBSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide (CID 2254239) is N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is O=C(N/C(=C/c1ccc(F)cc1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is VCCPMGVNHVMUNJ-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-17-8-6-15(7-9-17)14-18(20(25)23-10-12-26-13-11-23)22-19(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,24)/b18-14+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2254239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).