N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide

C11H13FN2O3 — CID 2250982

IUPACN'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLKUIXEVRDHJGAN-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.53
Rot. Bonds4

About N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide

N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 2250982) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide
PubChem CID2250982
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLKUIXEVRDHJGAN-UHFFFAOYSA-N
XLogP0.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide (CID 2250982) is N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is LKUIXEVRDHJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide?
N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 240.23 g/mol, XLogP of 0.53, 4 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-methoxyethyl)oxamide is sourced from PubChem (CID 2250982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).