(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide

C21H23FN2O2 — CID 20744300

IUPAC(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc(F)c1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C21H23FN2O2/c1-16(23-21(25)9-8-17-4-2-6-19(22)14-17)18-5-3-7-20(15-18)24-10-12-26-13-11-24/h2-9,14-16H,10-13H2,1H3,(H,23,25)/b9-8+
InChIKeyGWDTXLWSUGQOBE-CMDGGOBGSA-N
MW354.43 g/mol
LogP3.55
Rot. Bonds5

About (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide (PubChem CID 20744300) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
PubChem CID20744300
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc(F)c1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C21H23FN2O2/c1-16(23-21(25)9-8-17-4-2-6-19(22)14-17)18-5-3-7-20(15-18)24-10-12-26-13-11-24/h2-9,14-16H,10-13H2,1H3,(H,23,25)/b9-8+
InChIKeyGWDTXLWSUGQOBE-CMDGGOBGSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]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

3-(2-chloro-4-fluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 91224360
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744351
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11233922
N-[(1R)-1-[3-[2-(aminomethyl)morpholin-4-yl]phenyl]ethyl]-3-(3,5-difluorophenyl)prop-2-enamide
CID 91521603
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
(E)-N-[(1S)-1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
CID 11473692
N-[(1S)-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 67550704
(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148657
1-(3-morpholin-4-ylphenyl)ethanamine;(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-phenylprop-2-enamide
CID 161134519
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide (CID 20744300) is (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1cccc(F)c1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
The InChIKey is GWDTXLWSUGQOBE-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-16(23-21(25)9-8-17-4-2-6-19(22)14-17)18-5-3-7-20(15-18)24-10-12-26-13-11-24/h2-9,14-16H,10-13H2,1H3,(H,23,25)/b9-8+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide has a molecular weight of 354.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 20744300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).