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

C22H24FN3O4 — CID 16895035

IUPACN'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O4/c23-17-8-10-18(11-9-17)25-22(29)21(28)24-12-4-7-20(27)26-13-14-30-19(15-26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,28)(H,25,29)
InChIKeyLVWXEHPAXGIZDU-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.26
Rot. Bonds6

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

N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide (PubChem CID 16895035) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
PubChem CID16895035
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC NameN'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O4/c23-17-8-10-18(11-9-17)25-22(29)21(28)24-12-4-7-20(27)26-13-14-30-19(15-26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,28)(H,25,29)
InChIKeyLVWXEHPAXGIZDU-UHFFFAOYSA-N
XLogP2.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27375947
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773
2-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895165

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide (CID 16895035) is N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide is O=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The InChIKey is LVWXEHPAXGIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c23-17-8-10-18(11-9-17)25-22(29)21(28)24-12-4-7-20(27)26-13-14-30-19(15-26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,28)(H,25,29).
What are the key properties of N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide?
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide has a molecular weight of 413.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide is sourced from PubChem (CID 16895035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).