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

C16H16FNO2 — CID 90290329

IUPAC(4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
SMILESC/C=c1/c(C(=O)NC)c(-c2ccc(F)cc2)o/c1=C/C
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)/b12-4+,13-5+
InChIKeyJGQGXCPXIIJGBE-QGVJZHQLSA-N
MW273.31 g/mol
LogP2.05
Rot. Bonds2

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

(4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide (PubChem CID 90290329) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
PubChem CID90290329
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
SMILESC/C=c1/c(C(=O)NC)c(-c2ccc(F)cc2)o/c1=C/C
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)/b12-4+,13-5+
InChIKeyJGQGXCPXIIJGBE-QGVJZHQLSA-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 (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide (CID 90290329) is (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide is C/C=c1/c(C(=O)NC)c(-c2ccc(F)cc2)o/c1=C/C.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
The InChIKey is JGQGXCPXIIJGBE-QGVJZHQLSA-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)/b12-4+,13-5+.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide?
(4Z,5E)-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 (4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 90290329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).