4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide

C16H16FNO2 — CID 123309644

IUPAC4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
SMILESCC=c1oc(-c2ccc(F)cc2)c(C(=O)NC)c1=CC
InChIInChI=1S/C16H16FNO2/c1-4-12-13(5-2)20-15(14(12)16(19)18-3)10-6-8-11(17)9-7-10/h4-9H,1-3H3,(H,18,19)
InChIKeyJGQGXCPXIIJGBE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.05
Rot. Bonds2

About 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide

4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide (PubChem CID 123309644) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
PubChem CID123309644
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
SMILESCC=c1oc(-c2ccc(F)cc2)c(C(=O)NC)c1=CC
InChIInChI=1S/C16H16FNO2/c1-4-12-13(5-2)20-15(14(12)16(19)18-3)10-6-8-11(17)9-7-10/h4-9H,1-3H3,(H,18,19)
InChIKeyJGQGXCPXIIJGBE-UHFFFAOYSA-N
XLogP2.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The IUPAC name of 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide (CID 123309644) is 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide is CC=c1oc(-c2ccc(F)cc2)c(C(=O)NC)c1=CC.
What is the InChIKey of 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The InChIKey is JGQGXCPXIIJGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-4-12-13(5-2)20-15(14(12)16(19)18-3)10-6-8-11(17)9-7-10/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 123309644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).