N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C17H17FN2O3 — CID 2218015

IUPACN'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-8-2-12(3-9-15)10-11-19-16(21)17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYBLMMRLWQGPIAN-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.13
Rot. Bonds5

About N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 2218015) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID2218015
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-8-2-12(3-9-15)10-11-19-16(21)17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYBLMMRLWQGPIAN-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.13
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'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 2218015) is N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is YBLMMRLWQGPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-8-2-12(3-9-15)10-11-19-16(21)17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 316.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2218015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).