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

C21H22F2N2O2 — CID 10292658

IUPAC(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+
InChIKeyGJTBBHPPJLHWKQ-RUDMXATFSA-N
MW372.42 g/mol
LogP3.69
Rot. Bonds5

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

(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 10292658) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID10292658
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+
InChIKeyGJTBBHPPJLHWKQ-RUDMXATFSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
CID 60145371
N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 70681458
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CID 118735885

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (CID 10292658) is (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide is CC(NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)c(N2CCOCC2)c1.
What is the InChIKey of (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is GJTBBHPPJLHWKQ-RUDMXATFSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+.
What are the key properties of (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 372.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 10292658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).