N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide

C14H17FN2O3 — CID 75508920

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-8-11(6-7-20-8)14(19)17-12(13(16)18)9-2-4-10(15)5-3-9/h2-5,8,11-12H,6-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZFXJPDSIJLPECP-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.89
Rot. Bonds4

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide (PubChem CID 75508920) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide
PubChem CID75508920
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-8-11(6-7-20-8)14(19)17-12(13(16)18)9-2-4-10(15)5-3-9/h2-5,8,11-12H,6-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZFXJPDSIJLPECP-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide (CID 75508920) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NC(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide?
The InChIKey is ZFXJPDSIJLPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-11(6-7-20-8)14(19)17-12(13(16)18)9-2-4-10(15)5-3-9/h2-5,8,11-12H,6-7H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 75508920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).