(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide

C15H17FN2O3 — CID 51105577

IUPAC(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide
SMILESCC1CN(C(=O)/C=C/C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H17FN2O3/c1-11-10-18(8-9-21-11)15(20)7-6-14(19)17-13-4-2-12(16)3-5-13/h2-7,11H,8-10H2,1H3,(H,17,19)/b7-6+
InChIKeyJFSBRBMAOYYJCJ-VOTSOKGWSA-N
MW292.31 g/mol
LogP1.57
Rot. Bonds3

About (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide

(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide (PubChem CID 51105577) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide
PubChem CID51105577
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide
SMILESCC1CN(C(=O)/C=C/C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H17FN2O3/c1-11-10-18(8-9-21-11)15(20)7-6-14(19)17-13-4-2-12(16)3-5-13/h2-7,11H,8-10H2,1H3,(H,17,19)/b7-6+
InChIKeyJFSBRBMAOYYJCJ-VOTSOKGWSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.57
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

(E)-N-(4-fluorophenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobut-2-enamide
CID 110007435
N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 134044371
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
(E)-4-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-N-(4-fluorophenyl)-4-oxobut-2-enamide
CID 110009436
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
(E)-N-(4-fluorophenyl)-4-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-oxobut-2-enamide
CID 110009870
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide (CID 51105577) is (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide is CC1CN(C(=O)/C=C/C(=O)Nc2ccc(F)cc2)CCO1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide?
The InChIKey is JFSBRBMAOYYJCJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-11-10-18(8-9-21-11)15(20)7-6-14(19)17-13-4-2-12(16)3-5-13/h2-7,11H,8-10H2,1H3,(H,17,19)/b7-6+.
What are the key properties of (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide?
(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide has a molecular weight of 292.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide is sourced from PubChem (CID 51105577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).