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

C20H21F2N3O3 — CID 16892974

IUPACN'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O3/c21-16-7-6-15(12-17(16)22)24-20(27)19(26)23-8-9-25-10-11-28-18(13-25)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyGBNGYOJYGVHLAG-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.09
Rot. Bonds5

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

N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16892974) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16892974
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O3/c21-16-7-6-15(12-17(16)22)24-20(27)19(26)23-8-9-25-10-11-28-18(13-25)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyGBNGYOJYGVHLAG-UHFFFAOYSA-N
XLogP2.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.09
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
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
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(morpholin-4-ylmethyl)pyridin-2(1H)-one
CID 22051155
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-[4-[(2R)-morpholin-2-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67238348

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16892974) is N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide is O=C(NCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is GBNGYOJYGVHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-16-7-6-15(12-17(16)22)24-20(27)19(26)23-8-9-25-10-11-28-18(13-25)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,23,26)(H,24,27).
What are the key properties of N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 389.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16892974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).