N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

C21H22FN3O4 — CID 16894960

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C21H22FN3O4/c1-14-7-8-16(11-17(14)22)24-21(28)20(27)23-12-19(26)25-9-10-29-18(13-25)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyZIFIWWUXJAIDRS-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.79
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16894960) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16894960
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C21H22FN3O4/c1-14-7-8-16(11-17(14)22)24-21(28)20(27)23-12-19(26)25-9-10-29-18(13-25)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyZIFIWWUXJAIDRS-UHFFFAOYSA-N
XLogP1.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264836
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
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
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
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2930820
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2932443

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16894960) is N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is ZIFIWWUXJAIDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14-7-8-16(11-17(14)22)24-21(28)20(27)23-12-19(26)25-9-10-29-18(13-25)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 399.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16894960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).