(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide

C26H26F2N2O2 — CID 71011255

IUPAC(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide
SMILESCC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O2/c1-3-24(18-4-8-20(27)9-5-18)25(19-6-10-21(28)11-7-19)26(31)30-22-12-14-23(15-13-22)32-17-16-29-2/h4-15,29H,3,16-17H2,1-2H3,(H,30,31)/b25-24+
InChIKeyGMPNDFZWIRAHAC-OCOZRVBESA-N
MW436.50 g/mol
LogP5.52
Rot. Bonds9

About (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide

(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide (PubChem CID 71011255) has the molecular formula C26H26F2N2O2 and a molecular weight of 436.50 g/mol. Its IUPAC name is (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide
PubChem CID71011255
Molecular FormulaC26H26F2N2O2
Molecular Weight436.50 g/mol
Exact Mass436.20
IUPAC Name(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide
SMILESCC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H26F2N2O2/c1-3-24(18-4-8-20(27)9-5-18)25(19-6-10-21(28)11-7-19)26(31)30-22-12-14-23(15-13-22)32-17-16-29-2/h4-15,29H,3,16-17H2,1-2H3,(H,30,31)/b25-24+
InChIKeyGMPNDFZWIRAHAC-OCOZRVBESA-N
XLogP5.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide?
The IUPAC name of (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide (CID 71011255) is (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide.
What is the SMILES notation for (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide?
The canonical SMILES for (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide is CC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide?
The InChIKey is GMPNDFZWIRAHAC-OCOZRVBESA-N. The full InChI is InChI=1S/C26H26F2N2O2/c1-3-24(18-4-8-20(27)9-5-18)25(19-6-10-21(28)11-7-19)26(31)30-22-12-14-23(15-13-22)32-17-16-29-2/h4-15,29H,3,16-17H2,1-2H3,(H,30,31)/b25-24+.
What are the key properties of (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide?
(E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide has a molecular weight of 436.50 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(4-fluorophenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enamide is sourced from PubChem (CID 71011255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).