N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide

C13H15FN2O3 — CID 110696724

IUPACN-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)NCCc2ccc(F)cc2)N1
InChIInChI=1S/C13H15FN2O3/c14-10-3-1-9(2-4-10)5-6-15-13(18)11-7-19-8-12(17)16-11/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyZFFUSDNYSRPUMZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.00
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696724) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696724
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)NCCc2ccc(F)cc2)N1
InChIInChI=1S/C13H15FN2O3/c14-10-3-1-9(2-4-10)5-6-15-13(18)11-7-19-8-12(17)16-11/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyZFFUSDNYSRPUMZ-UHFFFAOYSA-N
XLogP-0.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696712
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696705
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide (CID 110696724) is N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide is O=C1COCC(C(=O)NCCc2ccc(F)cc2)N1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is ZFFUSDNYSRPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-3-1-9(2-4-10)5-6-15-13(18)11-7-19-8-12(17)16-11/h1-4,11H,5-8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 266.27 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).