N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide

C17H16F2N2O3 — CID 108985510

IUPACN'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O3/c1-24-12-5-2-4-11(10-12)8-9-20-16(22)17(23)21-15-13(18)6-3-7-14(15)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyGGYXSPXIZCMHIN-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.27
Rot. Bonds5

About N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide

N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 108985510) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID108985510
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O3/c1-24-12-5-2-4-11(10-12)8-9-20-16(22)17(23)21-15-13(18)6-3-7-14(15)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyGGYXSPXIZCMHIN-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000453
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide (CID 108985510) is N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(CCNC(=O)C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is GGYXSPXIZCMHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-24-12-5-2-4-11(10-12)8-9-20-16(22)17(23)21-15-13(18)6-3-7-14(15)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide?
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 334.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108985510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).