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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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).