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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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).