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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Related Compounds

Carbamic acid, N-(3-fluoro-4-(4-morpholinyl)phenyl)-, phenylmethyl ester
CID 5306150
benzyl N-[2-(4-fluoroanilino)-2-oxoethyl]carbamate
CID 24207949
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(2-fluorophenyl)urea
CID 10337554
2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
CID 22050426
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}phenyl)pyridin-2(1H)-one
CID 53318594
2-amino-N-[[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
CID 56673497
[3-[4-(2-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281637
[1-Phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
1-[4-[(2R)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67238348

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).