3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

C14H16FNO2 — CID 2862097

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)
InChIKeyRXJKBEUFCXFTBD-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.13
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 2862097) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID2862097
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)
InChIKeyRXJKBEUFCXFTBD-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 2862097) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is RXJKBEUFCXFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 249.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2862097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).