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

C13H16FNO2 — CID 2947967

IUPACN-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeySHFUGNOJFQLWKW-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.66
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 2947967) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
PubChem CID2947967
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeySHFUGNOJFQLWKW-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.66
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]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide (CID 2947967) is N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCO1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is SHFUGNOJFQLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 1.66, 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]oxolane-2-carboxamide is sourced from PubChem (CID 2947967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).