N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide

C15H20FNO2 — CID 118740482

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)NCCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H20FNO2/c1-15(7-10-19-11-8-15)14(18)17-9-6-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyXZVHRFOKNIFPBV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide (PubChem CID 118740482) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide
PubChem CID118740482
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)NCCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H20FNO2/c1-15(7-10-19-11-8-15)14(18)17-9-6-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyXZVHRFOKNIFPBV-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide (CID 118740482) is N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide is CC1(C(=O)NCCc2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide?
The InChIKey is XZVHRFOKNIFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(7-10-19-11-8-15)14(18)17-9-6-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide is sourced from PubChem (CID 118740482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).