N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide

C18H18F2N2O3 — CID 71810561

IUPACN'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1C
InChIInChI=1S/C18H18F2N2O3/c1-11-5-3-4-6-13(11)16(25-2)10-21-17(23)18(24)22-15-9-12(19)7-8-14(15)20/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVDKMDDRMCHSWQG-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.72
Rot. Bonds5

About N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide

N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide (PubChem CID 71810561) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
PubChem CID71810561
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1C
InChIInChI=1S/C18H18F2N2O3/c1-11-5-3-4-6-13(11)16(25-2)10-21-17(23)18(24)22-15-9-12(19)7-8-14(15)20/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVDKMDDRMCHSWQG-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide (CID 71810561) is N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide is COC(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1C.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide?
The InChIKey is VDKMDDRMCHSWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11-5-3-4-6-13(11)16(25-2)10-21-17(23)18(24)22-15-9-12(19)7-8-14(15)20/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide has a molecular weight of 348.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 71810561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).