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

C21H24FN3O3 — CID 16892975

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C21H24FN3O3/c1-15-7-8-17(13-18(15)22)24-21(27)20(26)23-9-10-25-11-12-28-19(14-25)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBBKGRSWSVJCDEN-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.26
Rot. Bonds5

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

N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16892975) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16892975
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C21H24FN3O3/c1-15-7-8-17(13-18(15)22)24-21(27)20(26)23-9-10-25-11-12-28-19(14-25)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBBKGRSWSVJCDEN-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.26
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
N-(3,4-dimethylphenyl)-2-[(phenylmethoxy)carbonylamino]acetamide
CID 824286
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
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

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16892975) is N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCN2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is BBKGRSWSVJCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-15-7-8-17(13-18(15)22)24-21(27)20(26)23-9-10-25-11-12-28-19(14-25)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 385.44 g/mol, XLogP of 2.26, 5 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-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16892975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).