(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

C22H17FN2O2 — CID 2095048

IUPAC(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26)/b18-14+
InChIKeyOBMMOHDQYSAMEB-NBVRZTHBSA-N
MW360.39 g/mol
LogP4.35
Rot. Bonds6

About (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 2095048) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID2095048
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26)/b18-14+
InChIKeyOBMMOHDQYSAMEB-NBVRZTHBSA-N
XLogP4.35
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (CID 2095048) is (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is OBMMOHDQYSAMEB-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26)/b18-14+.
What are the key properties of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 360.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 2095048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).