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

C26H24FN3O2 — CID 2318228

IUPAC(Z)-3-[(3E)-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-TYIAYESWSA-N
MW429.50 g/mol
LogP4.68
Rot. Bonds5

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

(Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 2318228) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
PubChem CID2318228
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name(Z)-3-[(3E)-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-TYIAYESWSA-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'}

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Related Compounds

(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
(E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-phenylprop-2-enenitrile
CID 2373103
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
N-(4-Iodophenyl)-4-(morpholinomethyl)benzamide
CID 589919
N-(4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 730073
N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 764686
(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 10292658
3-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 851469
3-fluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 898411
2-fluoro-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 961046
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
3-{3-[(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)cyclopent-1-en-1-yl}-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 2338329

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide (CID 2318228) is (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[(3E)-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 (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is CZELQGNDBKMVQU-TYIAYESWSA-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 (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide?
(Z)-3-[(3E)-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 (Z)-3-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 2318228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).