N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

C21H22FN3O4 — CID 16894937

IUPACN-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyFENAPTUNKNVJON-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.16
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16894937) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16894937
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27)(H,24,28)
InChIKeyFENAPTUNKNVJON-UHFFFAOYSA-N
XLogP1.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-acetamide
CID 9890435
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 10288987
N-((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 52943450
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
N-benzyl-2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N-methylacetamide
CID 44346438
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
CID 10575547
4-[(S)-1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]-1-piperazineacetamide
CID 20811360
2-[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamino]-acetamide
CID 9827668
4-(2-Benzhydryloxy-ethyl)-1-(3-phenyl-propyl)-piperazin-2-one
CID 10670209
2-[4-[(1R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetamide
CID 44358568
2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 54584439
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-N,N-dimethyl-acetamide
CID 11755227

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16894937) is N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is O=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is FENAPTUNKNVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)12-23-20(27)21(28)24-13-19(26)25-10-11-29-18(14-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,27)(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 399.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).