N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide

C21H21FN2O3 — CID 134044371

IUPACN-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H21FN2O3/c1-15(25)23-19-9-2-16(3-10-19)4-11-21(26)24-12-13-27-20(14-24)17-5-7-18(22)8-6-17/h2-11,20H,12-14H2,1H3,(H,23,25)/b11-4+
InChIKeyGTPZTHOVVAGSCO-NYYWCZLTSA-N
MW368.41 g/mol
LogP3.40
Rot. Bonds4

About N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide

N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 134044371) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID134044371
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H21FN2O3/c1-15(25)23-19-9-2-16(3-10-19)4-11-21(26)24-12-13-27-20(14-24)17-5-7-18(22)8-6-17/h2-11,20H,12-14H2,1H3,(H,23,25)/b11-4+
InChIKeyGTPZTHOVVAGSCO-NYYWCZLTSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.40
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)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044150
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
(E)-N-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)-4-oxobut-2-enamide
CID 51105577
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide (CID 134044371) is N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is GTPZTHOVVAGSCO-NYYWCZLTSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-15(25)23-19-9-2-16(3-10-19)4-11-21(26)24-12-13-27-20(14-24)17-5-7-18(22)8-6-17/h2-11,20H,12-14H2,1H3,(H,23,25)/b11-4+.
What are the key properties of N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide?
N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 134044371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).