N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide

C14H18FNO2 — CID 42923003

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1CCCO1
InChIInChI=1S/C14H18FNO2/c1-10(11-5-7-12(15)8-6-11)16(2)14(17)13-4-3-9-18-13/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyIXURYHACBCQTHI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide (PubChem CID 42923003) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide
PubChem CID42923003
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1CCCO1
InChIInChI=1S/C14H18FNO2/c1-10(11-5-7-12(15)8-6-11)16(2)14(17)13-4-3-9-18-13/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyIXURYHACBCQTHI-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide (CID 42923003) is N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)C1CCCO1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide?
The InChIKey is IXURYHACBCQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(11-5-7-12(15)8-6-11)16(2)14(17)13-4-3-9-18-13/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 42923003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).