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

C22H26FN3O3 — CID 16893141

IUPACN'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-18-8-10-19(11-9-18)25-22(28)21(27)24-12-4-5-13-26-14-15-29-20(16-26)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,24,27)(H,25,28)
InChIKeyXGQWFHLGMSRYCZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.73
Rot. Bonds7

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

N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (PubChem CID 16893141) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
PubChem CID16893141
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3/c23-18-8-10-19(11-9-18)25-22(28)21(27)24-12-4-5-13-26-14-15-29-20(16-26)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,24,27)(H,25,28)
InChIKeyXGQWFHLGMSRYCZ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (CID 16893141) is N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The InChIKey is XGQWFHLGMSRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-18-8-10-19(11-9-18)25-22(28)21(27)24-12-4-5-13-26-14-15-29-20(16-26)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,24,27)(H,25,28).
What are the key properties of N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
N'-(4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide has a molecular weight of 399.47 g/mol, XLogP of 2.73, 7 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-(2-phenylmorpholin-4-yl)butyl]oxamide is sourced from PubChem (CID 16893141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).