N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide

C21H23F2N3O3 — CID 16893055

IUPACN'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C21H23F2N3O3/c22-16-7-8-17(23)18(13-16)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28)
InChIKeyQSRXFSSKEIZYGD-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.48
Rot. Bonds6

About N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide

N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (PubChem CID 16893055) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
PubChem CID16893055
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C21H23F2N3O3/c22-16-7-8-17(23)18(13-16)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28)
InChIKeyQSRXFSSKEIZYGD-UHFFFAOYSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.48
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
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
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-[4-[(2R)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67238348
1-[4-[(2S)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67240432
Diamocaine
CID 31932
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(4-methylphenyl)oxamide
CID 2908235

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (CID 16893055) is N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The InChIKey is QSRXFSSKEIZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-16-7-8-17(23)18(13-16)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28).
What are the key properties of N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide has a molecular weight of 403.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide is sourced from PubChem (CID 16893055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).