N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

C14H17FN2O3 — CID 2952668

IUPACN'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)8-16-13(18)14(19)17-9-12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyTUOSAPVMLPJDJW-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.74
Rot. Bonds4

About N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 2952668) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID2952668
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)8-16-13(18)14(19)17-9-12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyTUOSAPVMLPJDJW-UHFFFAOYSA-N
XLogP0.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.74
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)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 2952668) is N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is TUOSAPVMLPJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-5-3-10(4-6-11)8-16-13(18)14(19)17-9-12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 280.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2952668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).