N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide

C22H26FN3O3 — CID 27557780

IUPACN'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
SMILESO=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyFSYHTSMGKZMZQZ-FQEVSTJZSA-N
MW399.47 g/mol
LogP2.02
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide (PubChem CID 27557780) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
PubChem CID27557780
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
SMILESO=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyFSYHTSMGKZMZQZ-FQEVSTJZSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.02
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

1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide (CID 27557780) is N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide is O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide?
The InChIKey is FSYHTSMGKZMZQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-9-7-17(8-10-19)15-25-22(28)21(27)24-11-4-12-26-13-14-29-20(16-26)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-16H2,(H,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide has a molecular weight of 399.47 g/mol, XLogP of 2.02, 7 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-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide is sourced from PubChem (CID 27557780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).