2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C21H21F4N3O3 — CID 46571507

IUPAC2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H21F4N3O3/c1-12(28-8-9-31-17(11-28)13-2-4-14(22)5-3-13)21(30)26-10-18(29)27-16-7-6-15(23)19(24)20(16)25/h2-7,12,17H,8-11H2,1H3,(H,26,30)(H,27,29)
InChIKeyMTYMCMZOFPUCTN-UHFFFAOYSA-N
MW439.41 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 46571507) has the molecular formula C21H21F4N3O3 and a molecular weight of 439.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID46571507
Molecular FormulaC21H21F4N3O3
Molecular Weight439.41 g/mol
Exact Mass439.15
IUPAC Name2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H21F4N3O3/c1-12(28-8-9-31-17(11-28)13-2-4-14(22)5-3-13)21(30)26-10-18(29)27-16-7-6-15(23)19(24)20(16)25/h2-7,12,17H,8-11H2,1H3,(H,26,30)(H,27,29)
InChIKeyMTYMCMZOFPUCTN-UHFFFAOYSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
2-(4-hydroxypiperidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46614754
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26495308
1-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46687552
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 120771602
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55827029
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844711
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844709
N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 55565458
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 46571507) is 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is MTYMCMZOFPUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N3O3/c1-12(28-8-9-31-17(11-28)13-2-4-14(22)5-3-13)21(30)26-10-18(29)27-16-7-6-15(23)19(24)20(16)25/h2-7,12,17H,8-11H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 439.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 46571507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).