[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate

C14H16FNO3 — CID 7717209

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-6-4-10(5-7-12)8-16-13(17)9-19-14(18)11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,16,17)
InChIKeyNUMRAXNTGDKZEI-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.79
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717209) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717209
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-6-4-10(5-7-12)8-16-13(17)9-19-14(18)11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,16,17)
InChIKeyNUMRAXNTGDKZEI-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (CID 7717209) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is NUMRAXNTGDKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-6-4-10(5-7-12)8-16-13(17)9-19-14(18)11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,16,17).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 265.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).