(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide

C26H24FN3O2 — CID 15945023

IUPAC(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C26H24FN3O2/c27-23-8-4-5-9-24(23)29-26(31)22(18-28)17-21-11-10-20(16-19-6-2-1-3-7-19)25(21)30-12-14-32-15-13-30/h1-9,16-17H,10-15H2,(H,29,31)/b20-16-,22-17+
InChIKeyCZELQGNDBKMVQU-UUHKXZRCSA-N
MW429.50 g/mol
LogP4.68
Rot. Bonds5

About (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide

(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 15945023) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
PubChem CID15945023
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C26H24FN3O2/c27-23-8-4-5-9-24(23)29-26(31)22(18-28)17-21-11-10-20(16-19-6-2-1-3-7-19)25(21)30-12-14-32-15-13-30/h1-9,16-17H,10-15H2,(H,29,31)/b20-16-,22-17+
InChIKeyCZELQGNDBKMVQU-UUHKXZRCSA-N
XLogP4.68
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide (CID 15945023) is (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide is N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F.
What is the InChIKey of (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is CZELQGNDBKMVQU-UUHKXZRCSA-N. The full InChI is InChI=1S/C26H24FN3O2/c27-23-8-4-5-9-24(23)29-26(31)22(18-28)17-21-11-10-20(16-19-6-2-1-3-7-19)25(21)30-12-14-32-15-13-30/h1-9,16-17H,10-15H2,(H,29,31)/b20-16-,22-17+.
What are the key properties of (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
(E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide has a molecular weight of 429.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 15945023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).